[INFO] cloning repository https://github.com/boleklolek/quantum_engine
[INFO] running `Command { std: "git" "-c" "credential.helper=" "-c" "credential.helper=/workspace/cargo-home/bin/git-credential-null" "clone" "--bare" "https://github.com/boleklolek/quantum_engine" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Fboleklolek%2Fquantum_engine", kill_on_drop: false }`
[INFO] [stderr] Cloning into bare repository '/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Fboleklolek%2Fquantum_engine'...
[INFO] running `Command { std: "git" "rev-parse" "HEAD", kill_on_drop: false }`
[INFO] [stdout] fc3600f076492433cf66655b22ae52c56b936a4d
[INFO] checking boleklolek/quantum_engine against try#e622d8d7bed4f2668d446e06c6c1436ecae15796 for pr-156776
[INFO] running `Command { std: "git" "clone" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Fboleklolek%2Fquantum_engine" "/workspace/builds/worker-2-tc2/source", kill_on_drop: false }`
[INFO] [stderr] Cloning into '/workspace/builds/worker-2-tc2/source'...
[INFO] [stderr] done.
[INFO] started tweaking git repo https://github.com/boleklolek/quantum_engine
[INFO] finished tweaking git repo https://github.com/boleklolek/quantum_engine
[INFO] tweaked toml for git repo https://github.com/boleklolek/quantum_engine written to /workspace/builds/worker-2-tc2/source/Cargo.toml
[INFO] validating manifest of git repo https://github.com/boleklolek/quantum_engine on toolchain e622d8d7bed4f2668d446e06c6c1436ecae15796
[INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+e622d8d7bed4f2668d446e06c6c1436ecae15796" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }`
[INFO] crate git repo https://github.com/boleklolek/quantum_engine already has a lockfile, it will not be regenerated
[INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+e622d8d7bed4f2668d446e06c6c1436ecae15796" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+e622d8d7bed4f2668d446e06c6c1436ecae15796" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }`
[INFO] [stdout] 3edf041d292b3af6a08a287227fa9e2901db0d5bb0338bed12b3f18793b67f03
[INFO] running `Command { std: "docker" "start" "-a" "3edf041d292b3af6a08a287227fa9e2901db0d5bb0338bed12b3f18793b67f03", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "inspect" "3edf041d292b3af6a08a287227fa9e2901db0d5bb0338bed12b3f18793b67f03", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "rm" "-f" "3edf041d292b3af6a08a287227fa9e2901db0d5bb0338bed12b3f18793b67f03", kill_on_drop: false }`
[INFO] [stdout] 3edf041d292b3af6a08a287227fa9e2901db0d5bb0338bed12b3f18793b67f03
[INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+e622d8d7bed4f2668d446e06c6c1436ecae15796" "check" "--frozen" "--all" "--all-targets" "--message-format=json", kill_on_drop: false }`
[INFO] [stdout] 46bff15aaf8bb4833528aeffdeb90c9634d0453b23cc3621818dbe903af553a2
[INFO] running `Command { std: "docker" "start" "-a" "46bff15aaf8bb4833528aeffdeb90c9634d0453b23cc3621818dbe903af553a2", kill_on_drop: false }`
[INFO] [stderr]    Compiling proc-macro2 v1.0.104
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[INFO] [stderr]    Compiling quantum_engine v0.1.0 (/opt/rustwide/workdir)
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[INFO] [stderr] warning: quantum_engine@0.1.0: Build script running...
[INFO] [stderr] warning: quantum_engine@0.1.0: pkg-config failed:
[INFO] [stderr] warning: quantum_engine@0.1.0: Trying manual link...
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[INFO] [stdout] warning: unused import: `super::*`
[INFO] [stdout]    --> src/scf/ri_j.rs:206:9
[INFO] [stdout]     |
[INFO] [stdout] 206 |     use super::*;
[INFO] [stdout]     |         ^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `B88_VDW` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:173:5
[INFO] [stdout]     |
[INFO] [stdout] 173 |     B88_VDW,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `B88Vdw`
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(non_camel_case_types)]` (part of `#[warn(nonstandard_style)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `PBE_VDW` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:174:5
[INFO] [stdout]     |
[INFO] [stdout] 174 |     PBE_VDW,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `PbeVdw`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `B97X_D` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:175:5
[INFO] [stdout]     |
[INFO] [stdout] 175 |     B97X_D,
[INFO] [stdout]     |     ^^^^^^ help: convert the identifier to upper camel case: `B97xD`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `WB97M_V` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:176:5
[INFO] [stdout]     |
[INFO] [stdout] 176 |     WB97M_V,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `Wb97mV`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `crate::basis::reader::read_basis_set`
[INFO] [stdout]    --> src/dft/density_eval.rs:147:9
[INFO] [stdout]     |
[INFO] [stdout] 147 |     use crate::basis::reader::read_basis_set;
[INFO] [stdout]     |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `DftGrid`
[INFO] [stdout]    --> src/dft/density_eval.rs:150:28
[INFO] [stdout]     |
[INFO] [stdout] 150 |     use crate::dft::grid::{DftGrid, GridPoint};
[INFO] [stdout]     |                            ^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `DVector`
[INFO] [stdout]  --> src/correlation/dmft/solver_ed.rs:1:25
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::{DMatrix, DVector};
[INFO] [stdout]   |                         ^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `B88_VDW` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:173:5
[INFO] [stdout]     |
[INFO] [stdout] 173 |     B88_VDW,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `B88Vdw`
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(non_camel_case_types)]` (part of `#[warn(nonstandard_style)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `PBE_VDW` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:174:5
[INFO] [stdout]     |
[INFO] [stdout] 174 |     PBE_VDW,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `PbeVdw`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `B97X_D` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:175:5
[INFO] [stdout]     |
[INFO] [stdout] 175 |     B97X_D,
[INFO] [stdout]     |     ^^^^^^ help: convert the identifier to upper camel case: `B97xD`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variant `WB97M_V` should have an upper camel case name
[INFO] [stdout]    --> src/input/types.rs:176:5
[INFO] [stdout]     |
[INFO] [stdout] 176 |     WB97M_V,
[INFO] [stdout]     |     ^^^^^^^ help: convert the identifier to upper camel case: `Wb97mV`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `super::*`
[INFO] [stdout]    --> src/correlation/dmft/mod.rs:102:9
[INFO] [stdout]     |
[INFO] [stdout] 102 |     use super::*;
[INFO] [stdout]     |         ^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `DVector`
[INFO] [stdout]  --> src/correlation/dmft/solver_ed.rs:1:25
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::{DMatrix, DVector};
[INFO] [stdout]   |                         ^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `RiMoTensors`
[INFO] [stdout]  --> src/tests/density_fitting_tests.rs:8:29
[INFO] [stdout]   |
[INFO] [stdout] 8 |     use crate::scf::ri_mo::{RiMoTensors, build_ri_mo_tensors};
[INFO] [stdout]   |                             ^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]    --> src/gui/app.rs:879:33
[INFO] [stdout]     |
[INFO] [stdout] 879 |                 egui::ComboBox::from_id_source("broadening_type")
[INFO] [stdout]     |                                 ^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(deprecated)]` on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/app.rs:914:28
[INFO] [stdout]     |
[INFO] [stdout] 914 |                     .width(2.5)
[INFO] [stdout]     |                            ^^^ help: explicitly specify the type as `f32`: `2.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout]     = note: `#[warn(float_literal_f32_fallback)]` (part of `#[warn(future_incompatible)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/app.rs:923:36
[INFO] [stdout]     |
[INFO] [stdout] 923 | ...                   .width(1.5)
[INFO] [stdout]     |                              ^^^ help: explicitly specify the type as `f32`: `1.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1065:46
[INFO] [stdout]      |
[INFO] [stdout] 1065 |                 egui::ScrollArea::vertical().id_source("logs").max_height(150.0).show(ui, |ui| {
[INFO] [stdout]      |                                              ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1180:29
[INFO] [stdout]      |
[INFO] [stdout] 1180 |             egui::ComboBox::from_id_source("extended_palette")
[INFO] [stdout]      |                             ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1309:29
[INFO] [stdout]      |
[INFO] [stdout] 1309 |             egui::ComboBox::from_id_source("frag_sel")
[INFO] [stdout]      |                             ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1366:34
[INFO] [stdout]      |
[INFO] [stdout] 1366 |         egui::ScrollArea::both().id_source("atom_list").max_height(200.0).show(ui, |ui| {
[INFO] [stdout]      |                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1401:25
[INFO] [stdout]      |
[INFO] [stdout] 1401 |         egui::ComboBox::from_id_source("job_mode")
[INFO] [stdout]      |                         ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1417:25
[INFO] [stdout]      |
[INFO] [stdout] 1417 |         egui::ComboBox::from_id_source("method_sel")
[INFO] [stdout]      |                         ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1435:33
[INFO] [stdout]      |
[INFO] [stdout] 1435 |                 egui::ComboBox::from_id_source("functional_sel")
[INFO] [stdout]      |                                 ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]    --> src/gui/app.rs:879:33
[INFO] [stdout]     |
[INFO] [stdout] 879 |                 egui::ComboBox::from_id_source("broadening_type")
[INFO] [stdout]     |                                 ^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(deprecated)]` on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1494:33
[INFO] [stdout]      |
[INFO] [stdout] 1494 |                 egui::ComboBox::from_id_source("basis_sel")
[INFO] [stdout]      |                                 ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/app.rs:914:28
[INFO] [stdout]     |
[INFO] [stdout] 914 |                     .width(2.5)
[INFO] [stdout]     |                            ^^^ help: explicitly specify the type as `f32`: `2.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout]     = note: `#[warn(float_literal_f32_fallback)]` (part of `#[warn(future_incompatible)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/app.rs:923:36
[INFO] [stdout]     |
[INFO] [stdout] 923 | ...                   .width(1.5)
[INFO] [stdout]     |                              ^^^ help: explicitly specify the type as `f32`: `1.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1668:37
[INFO] [stdout]      |
[INFO] [stdout] 1668 |                     egui::ComboBox::from_id_source("tddft_method")
[INFO] [stdout]      |                                     ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1683:37
[INFO] [stdout]      |
[INFO] [stdout] 1683 |                     egui::ComboBox::from_id_source("vdw_kernel")
[INFO] [stdout]      |                                     ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1065:46
[INFO] [stdout]      |
[INFO] [stdout] 1065 |                 egui::ScrollArea::vertical().id_source("logs").max_height(150.0).show(ui, |ui| {
[INFO] [stdout]      |                                              ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1180:29
[INFO] [stdout]      |
[INFO] [stdout] 1180 |             egui::ComboBox::from_id_source("extended_palette")
[INFO] [stdout]      |                             ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1825:50
[INFO] [stdout]      |
[INFO] [stdout] 1825 |                     egui::ScrollArea::vertical().id_source("mulliken").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1835:50
[INFO] [stdout]      |
[INFO] [stdout] 1835 |                     egui::ScrollArea::vertical().id_source("ddapc").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1845:50
[INFO] [stdout]      |
[INFO] [stdout] 1845 |                     egui::ScrollArea::vertical().id_source("bloechl").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1878:42
[INFO] [stdout]      |
[INFO] [stdout] 1878 |             egui::ScrollArea::vertical().id_source("tddft_res").max_height(200.0).show(ui, |ui| {
[INFO] [stdout]      |                                          ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1309:29
[INFO] [stdout]      |
[INFO] [stdout] 1309 |             egui::ComboBox::from_id_source("frag_sel")
[INFO] [stdout]      |                             ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1366:34
[INFO] [stdout]      |
[INFO] [stdout] 1366 |         egui::ScrollArea::both().id_source("atom_list").max_height(200.0).show(ui, |ui| {
[INFO] [stdout]      |                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]     --> src/gui/app.rs:1963:36
[INFO] [stdout]      |
[INFO] [stdout] 1963 | ...                   .width(1.5));
[INFO] [stdout]      |                              ^^^ help: explicitly specify the type as `f32`: `1.5_f32`
[INFO] [stdout]      |
[INFO] [stdout]      = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]      = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]     --> src/gui/app.rs:1970:55
[INFO] [stdout]      |
[INFO] [stdout] 1970 | ...                   .stroke(egui::Stroke::new(1.0, egui::Color32::GRAY)));
[INFO] [stdout]      |                                                 ^^^ help: explicitly specify the type as `f32`: `1.0_f32`
[INFO] [stdout]      |
[INFO] [stdout]      = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]      = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1401:25
[INFO] [stdout]      |
[INFO] [stdout] 1401 |         egui::ComboBox::from_id_source("job_mode")
[INFO] [stdout]      |                         ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1417:25
[INFO] [stdout]      |
[INFO] [stdout] 1417 |         egui::ComboBox::from_id_source("method_sel")
[INFO] [stdout]      |                         ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1435:33
[INFO] [stdout]      |
[INFO] [stdout] 1435 |                 egui::ComboBox::from_id_source("functional_sel")
[INFO] [stdout]      |                                 ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1494:33
[INFO] [stdout]      |
[INFO] [stdout] 1494 |                 egui::ComboBox::from_id_source("basis_sel")
[INFO] [stdout]      |                                 ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1668:37
[INFO] [stdout]      |
[INFO] [stdout] 1668 |                     egui::ComboBox::from_id_source("tddft_method")
[INFO] [stdout]      |                                     ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated associated function `eframe::egui::ComboBox::from_id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1683:37
[INFO] [stdout]      |
[INFO] [stdout] 1683 |                     egui::ComboBox::from_id_source("vdw_kernel")
[INFO] [stdout]      |                                     ^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/molecule_viewer.rs:220:85
[INFO] [stdout]     |
[INFO] [stdout] 220 |                         painter.circle_stroke(pos, radius * 1.25, egui::Stroke::new(3.0, h_col));
[INFO] [stdout]     |                                                                                     ^^^ help: explicitly specify the type as `f32`: `3.0_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/molecule_viewer.rs:282:67
[INFO] [stdout]     |
[INFO] [stdout] 282 |             painter.line_segment([origin, end], egui::Stroke::new(2.5, col));
[INFO] [stdout]     |                                                                   ^^^ help: explicitly specify the type as `f32`: `2.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ComplexField`
[INFO] [stdout]  --> src/pw/scf.rs:1:43
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::{DMatrix, DVector, Vector3, ComplexField};
[INFO] [stdout]   |                                           ^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1825:50
[INFO] [stdout]      |
[INFO] [stdout] 1825 |                     egui::ScrollArea::vertical().id_source("mulliken").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1835:50
[INFO] [stdout]      |
[INFO] [stdout] 1835 |                     egui::ScrollArea::vertical().id_source("ddapc").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1845:50
[INFO] [stdout]      |
[INFO] [stdout] 1845 |                     egui::ScrollArea::vertical().id_source("bloechl").max_height(100.0).show(ui, |ui| {
[INFO] [stdout]      |                                                  ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `eframe::egui::ScrollArea::id_source`: Renamed id_salt
[INFO] [stdout]     --> src/gui/app.rs:1878:42
[INFO] [stdout]      |
[INFO] [stdout] 1878 |             egui::ScrollArea::vertical().id_source("tddft_res").max_height(200.0).show(ui, |ui| {
[INFO] [stdout]      |                                          ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]     --> src/gui/app.rs:1963:36
[INFO] [stdout]      |
[INFO] [stdout] 1963 | ...                   .width(1.5));
[INFO] [stdout]      |                              ^^^ help: explicitly specify the type as `f32`: `1.5_f32`
[INFO] [stdout]      |
[INFO] [stdout]      = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]      = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]     --> src/gui/app.rs:1970:55
[INFO] [stdout]      |
[INFO] [stdout] 1970 | ...                   .stroke(egui::Stroke::new(1.0, egui::Color32::GRAY)));
[INFO] [stdout]      |                                                 ^^^ help: explicitly specify the type as `f32`: `1.0_f32`
[INFO] [stdout]      |
[INFO] [stdout]      = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]      = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/molecule_viewer.rs:220:85
[INFO] [stdout]     |
[INFO] [stdout] 220 |                         painter.circle_stroke(pos, radius * 1.25, egui::Stroke::new(3.0, h_col));
[INFO] [stdout]     |                                                                                     ^^^ help: explicitly specify the type as `f32`: `3.0_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From<f64>` is not satisfied
[INFO] [stdout]    --> src/gui/molecule_viewer.rs:282:67
[INFO] [stdout]     |
[INFO] [stdout] 282 |             painter.line_segment([origin, end], egui::Stroke::new(2.5, col));
[INFO] [stdout]     |                                                                   ^^^ help: explicitly specify the type as `f32`: `2.5_f32`
[INFO] [stdout]     |
[INFO] [stdout]     = warning: this was previously accepted by the compiler but is being phased out; it will become a hard error in a future release!
[INFO] [stdout]     = note: for more information, see issue #154024 <https://github.com/rust-lang/rust/issues/154024>
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ComplexField`
[INFO] [stdout]  --> src/pw/scf.rs:1:43
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::{DMatrix, DVector, Vector3, ComplexField};
[INFO] [stdout]   |                                           ^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `coeff_b` is assigned to, but never used
[INFO] [stdout]   --> src/scf/uhf.rs:33:48
[INFO] [stdout]    |
[INFO] [stdout] 33 |     let (mut d_alpha, mut d_beta, mut coeff_a, mut coeff_b) = if let (Some(da), Some(db)) = (options.initial_density.clone(), option...
[INFO] [stdout]    |                                                ^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: consider using `_coeff_b` instead
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `n_iter` is assigned to, but never used
[INFO] [stdout]   --> src/scf/uhf.rs:70:9
[INFO] [stdout]    |
[INFO] [stdout] 70 |     let mut n_iter = 0;
[INFO] [stdout]    |         ^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: consider using `_n_iter` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `coeff_b` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:369:9
[INFO] [stdout]     |
[INFO] [stdout] 369 |         coeff_b = cb_new;
[INFO] [stdout]     |         ^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout]     = note: `#[warn(unused_assignments)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `coeff_b` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:223:18
[INFO] [stdout]     |
[INFO] [stdout] 223 |                  coeff_b = cb;
[INFO] [stdout]     |                  ^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `n_iter` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:102:9
[INFO] [stdout]     |
[INFO] [stdout] 102 |         n_iter = iter + 1;
[INFO] [stdout]     |         ^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `coeff_b` is assigned to, but never used
[INFO] [stdout]   --> src/scf/uhf.rs:33:48
[INFO] [stdout]    |
[INFO] [stdout] 33 |     let (mut d_alpha, mut d_beta, mut coeff_a, mut coeff_b) = if let (Some(da), Some(db)) = (options.initial_density.clone(), option...
[INFO] [stdout]    |                                                ^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: consider using `_coeff_b` instead
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `n_iter` is assigned to, but never used
[INFO] [stdout]   --> src/scf/uhf.rs:70:9
[INFO] [stdout]    |
[INFO] [stdout] 70 |     let mut n_iter = 0;
[INFO] [stdout]    |         ^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: consider using `_n_iter` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `coeff_b` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:369:9
[INFO] [stdout]     |
[INFO] [stdout] 369 |         coeff_b = cb_new;
[INFO] [stdout]     |         ^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout]     = note: `#[warn(unused_assignments)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `coeff_b` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:223:18
[INFO] [stdout]     |
[INFO] [stdout] 223 |                  coeff_b = cb;
[INFO] [stdout]     |                  ^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `n_iter` is never read
[INFO] [stdout]    --> src/scf/uhf.rs:102:9
[INFO] [stdout]     |
[INFO] [stdout] 102 |         n_iter = iter + 1;
[INFO] [stdout]     |         ^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_triples` is never read
[INFO] [stdout]    --> src/scf/ccsd.rs:156:25
[INFO] [stdout]     |
[INFO] [stdout] 156 |     let mut e_triples = 0.0;
[INFO] [stdout]     |                         ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 309 |     e_triples = e_triples_sum * (1.0 / 36.0); // Symmetry factor
[INFO] [stdout]     |     ---------------------------------------- `e_triples` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_triples` is never read
[INFO] [stdout]    --> src/scf/uccsd.rs:123:25
[INFO] [stdout]     |
[INFO] [stdout] 123 |     let mut e_triples = 0.0;
[INFO] [stdout]     |                         ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 275 |     e_triples = e_t_sum * 0.05; // Weighted spin prefactor
[INFO] [stdout]     |     -------------------------- `e_triples` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_corr_step` is never read
[INFO] [stdout]    --> src/scf/uccsd.rs:128:31
[INFO] [stdout]     |
[INFO] [stdout] 128 |         let mut e_corr_step = 0.0;
[INFO] [stdout]     |                               ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 178 |         e_corr_step = e_aa + e_bb + e_ab;
[INFO] [stdout]     |         -------------------------------- `e_corr_step` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_triples` is never read
[INFO] [stdout]    --> src/scf/ccsd.rs:156:25
[INFO] [stdout]     |
[INFO] [stdout] 156 |     let mut e_triples = 0.0;
[INFO] [stdout]     |                         ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 309 |     e_triples = e_triples_sum * (1.0 / 36.0); // Symmetry factor
[INFO] [stdout]     |     ---------------------------------------- `e_triples` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_triples` is never read
[INFO] [stdout]    --> src/scf/uccsd.rs:123:25
[INFO] [stdout]     |
[INFO] [stdout] 123 |     let mut e_triples = 0.0;
[INFO] [stdout]     |                         ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 275 |     e_triples = e_t_sum * 0.05; // Weighted spin prefactor
[INFO] [stdout]     |     -------------------------- `e_triples` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `e_corr_step` is never read
[INFO] [stdout]    --> src/scf/uccsd.rs:128:31
[INFO] [stdout]     |
[INFO] [stdout] 128 |         let mut e_corr_step = 0.0;
[INFO] [stdout]     |                               ^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 178 |         e_corr_step = e_aa + e_bb + e_ab;
[INFO] [stdout]     |         -------------------------------- `e_corr_step` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `hess_fresh` is assigned to, but never used
[INFO] [stdout]    --> src/optimization/optimizer.rs:246:9
[INFO] [stdout]     |
[INFO] [stdout] 246 |     let mut hess_fresh = true;
[INFO] [stdout]     |         ^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: consider using `_hess_fresh` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `hess_fresh` is never read
[INFO] [stdout]    --> src/optimization/optimizer.rs:368:13
[INFO] [stdout]     |
[INFO] [stdout] 368 |             hess_fresh = false;
[INFO] [stdout]     |             ^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `hess_fresh` is assigned to, but never used
[INFO] [stdout]    --> src/optimization/optimizer.rs:246:9
[INFO] [stdout]     |
[INFO] [stdout] 246 |     let mut hess_fresh = true;
[INFO] [stdout]     |         ^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: consider using `_hess_fresh` instead
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `hess_fresh` is never read
[INFO] [stdout]    --> src/optimization/optimizer.rs:368:13
[INFO] [stdout]     |
[INFO] [stdout] 368 |             hess_fresh = false;
[INFO] [stdout]     |             ^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = help: maybe it is overwritten before being read?
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `v_eff_g` is never read
[INFO] [stdout]    --> src/pw/scf.rs:39:23
[INFO] [stdout]     |
[INFO] [stdout]  39 |     let mut v_eff_g = DVector::<Complex<f64>>::zeros(n_pw); // Effective potential (Loc + H + XC)
[INFO] [stdout]     |                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 333 |             v_eff_g = v_new_g;
[INFO] [stdout]     |             ------- `v_eff_g` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `overlap`
[INFO] [stdout]   --> src/correlation/dmft/mod.rs:45:5
[INFO] [stdout]    |
[INFO] [stdout] 45 |     overlap: &DMatrix<f64>,
[INFO] [stdout]    |     ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_overlap`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: value assigned to `v_eff_g` is never read
[INFO] [stdout]    --> src/pw/scf.rs:39:23
[INFO] [stdout]     |
[INFO] [stdout]  39 |     let mut v_eff_g = DVector::<Complex<f64>>::zeros(n_pw); // Effective potential (Loc + H + XC)
[INFO] [stdout]     |                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ this value is reassigned later and never used
[INFO] [stdout] ...
[INFO] [stdout] 333 |             v_eff_g = v_new_g;
[INFO] [stdout]     |             ------- `v_eff_g` is overwritten here before the previous value is read
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `hybridization`
[INFO] [stdout]   --> src/correlation/dmft/solver_ed.rs:88:9
[INFO] [stdout]    |
[INFO] [stdout] 88 |         hybridization: &FrequencyMatrix,
[INFO] [stdout]    |         ^^^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_hybridization`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `n_alpha`
[INFO] [stdout]   --> src/correlation/dmft/solver_ed.rs:98:13
[INFO] [stdout]    |
[INFO] [stdout] 98 |         let n_alpha = basis_alpha.len();
[INFO] [stdout]    |             ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_n_alpha`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `e_gs`
[INFO] [stdout]    --> src/correlation/dmft/solver_ed.rs:125:13
[INFO] [stdout]     |
[INFO] [stdout] 125 |         let e_gs = energies[gs_idx];
[INFO] [stdout]     |             ^^^^ help: if this is intentional, prefix it with an underscore: `_e_gs`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `overlap`
[INFO] [stdout]   --> src/correlation/dmft/mod.rs:45:5
[INFO] [stdout]    |
[INFO] [stdout] 45 |     overlap: &DMatrix<f64>,
[INFO] [stdout]    |     ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_overlap`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `hybridization`
[INFO] [stdout]   --> src/correlation/dmft/solver_ed.rs:88:9
[INFO] [stdout]    |
[INFO] [stdout] 88 |         hybridization: &FrequencyMatrix,
[INFO] [stdout]    |         ^^^^^^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_hybridization`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `n_alpha`
[INFO] [stdout]   --> src/correlation/dmft/solver_ed.rs:98:13
[INFO] [stdout]    |
[INFO] [stdout] 98 |         let n_alpha = basis_alpha.len();
[INFO] [stdout]    |             ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_n_alpha`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `e_gs`
[INFO] [stdout]    --> src/correlation/dmft/solver_ed.rs:125:13
[INFO] [stdout]     |
[INFO] [stdout] 125 |         let e_gs = energies[gs_idx];
[INFO] [stdout]     |             ^^^^ help: if this is intentional, prefix it with an underscore: `_e_gs`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: type `xc_func_type` is more private than the item `LibXC::func`
[INFO] [stdout]    --> src/dft/libxc.rs:125:5
[INFO] [stdout]     |
[INFO] [stdout] 125 |     pub func: *mut xc_func_type,
[INFO] [stdout]     |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^ field `LibXC::func` is reachable at visibility `pub`
[INFO] [stdout]     |
[INFO] [stdout] note: but type `xc_func_type` is only usable at visibility `pub(self)`
[INFO] [stdout]    --> src/dft/libxc.rs:26:1
[INFO] [stdout]     |
[INFO] [stdout]  26 | struct xc_func_type {
[INFO] [stdout]     | ^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     = note: `#[warn(private_interfaces)]` on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: type `xc_func_type` is more private than the item `LibXC::func`
[INFO] [stdout]    --> src/dft/libxc.rs:125:5
[INFO] [stdout]     |
[INFO] [stdout] 125 |     pub func: *mut xc_func_type,
[INFO] [stdout]     |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^ field `LibXC::func` is reachable at visibility `pub`
[INFO] [stdout]     |
[INFO] [stdout] note: but type `xc_func_type` is only usable at visibility `pub(self)`
[INFO] [stdout]    --> src/dft/libxc.rs:26:1
[INFO] [stdout]     |
[INFO] [stdout]  26 | struct xc_func_type {
[INFO] [stdout]     | ^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]     = note: `#[warn(private_interfaces)]` on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: fields `alpha` and `beta` are never read
[INFO] [stdout]   --> src/integrals/nuclear_attraction.rs:17:5
[INFO] [stdout]    |
[INFO] [stdout] 15 | struct VCtx {
[INFO] [stdout]    |        ---- fields in this struct
[INFO] [stdout] 16 |     zeta: f64,
[INFO] [stdout] 17 |     alpha: f64,
[INFO] [stdout]    |     ^^^^^
[INFO] [stdout] 18 |     beta:  f64,
[INFO] [stdout]    |     ^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: constant `MAX_R` is never used
[INFO] [stdout]    --> src/integrals/eri/eri_general_md.rs:151:7
[INFO] [stdout]     |
[INFO] [stdout] 151 | const MAX_R: usize = 65536;
[INFO] [stdout]     |       ^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `compute_dipole_at_field` is never used
[INFO] [stdout]   --> src/spectroscopy/raman.rs:83:4
[INFO] [stdout]    |
[INFO] [stdout] 83 | fn compute_dipole_at_field(atoms: &[Atom], basis: &str, nelec: usize, opts: &ScfOptions, field: [f64; 3], writer: &mut crate::io::wr...
[INFO] [stdout]    |    ^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: method `calculate_esp` is never used
[INFO] [stdout]    --> src/solvation/pcm.rs:127:8
[INFO] [stdout]     |
[INFO] [stdout]  24 | impl PcmState {
[INFO] [stdout]     | ------------- method in this implementation
[INFO] [stdout] ...
[INFO] [stdout] 127 |     fn calculate_esp(&self, atoms: &[Atom], shells: &[Shell], density: &DMatrix<f64>) -> Vec<f64> {
[INFO] [stdout]     |        ^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `legendre_p` is never used
[INFO] [stdout]   --> src/pw/scf.rs:15:4
[INFO] [stdout]    |
[INFO] [stdout] 15 | fn legendre_p(l: usize, costheta: f64) -> f64 {
[INFO] [stdout]    |    ^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `dT` should have a snake case name
[INFO] [stdout]   --> src/integrals/kinetic.rs:76:13
[INFO] [stdout]    |
[INFO] [stdout] 76 |     let mut dT = vec![[zero.clone(), zero.clone(), zero.clone()]; natoms];
[INFO] [stdout]    |             ^^ help: convert the identifier to snake case: `d_t`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(non_snake_case)]` (part of `#[warn(nonstandard_style)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: fields `alpha` and `beta` are never read
[INFO] [stdout]   --> src/integrals/nuclear_attraction.rs:17:5
[INFO] [stdout]    |
[INFO] [stdout] 15 | struct VCtx {
[INFO] [stdout]    |        ---- fields in this struct
[INFO] [stdout] 16 |     zeta: f64,
[INFO] [stdout] 17 |     alpha: f64,
[INFO] [stdout]    |     ^^^^^
[INFO] [stdout] 18 |     beta:  f64,
[INFO] [stdout]    |     ^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: constant `MAX_R` is never used
[INFO] [stdout]    --> src/integrals/eri/eri_general_md.rs:151:7
[INFO] [stdout]     |
[INFO] [stdout] 151 | const MAX_R: usize = 65536;
[INFO] [stdout]     |       ^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `compute_dipole_at_field` is never used
[INFO] [stdout]   --> src/spectroscopy/raman.rs:83:4
[INFO] [stdout]    |
[INFO] [stdout] 83 | fn compute_dipole_at_field(atoms: &[Atom], basis: &str, nelec: usize, opts: &ScfOptions, field: [f64; 3], writer: &mut crate::io::wr...
[INFO] [stdout]    |    ^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: method `calculate_esp` is never used
[INFO] [stdout]    --> src/solvation/pcm.rs:127:8
[INFO] [stdout]     |
[INFO] [stdout]  24 | impl PcmState {
[INFO] [stdout]     | ------------- method in this implementation
[INFO] [stdout] ...
[INFO] [stdout] 127 |     fn calculate_esp(&self, atoms: &[Atom], shells: &[Shell], density: &DMatrix<f64>) -> Vec<f64> {
[INFO] [stdout]     |        ^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `legendre_p` is never used
[INFO] [stdout]   --> src/pw/scf.rs:15:4
[INFO] [stdout]    |
[INFO] [stdout] 15 | fn legendre_p(l: usize, costheta: f64) -> f64 {
[INFO] [stdout]    |    ^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `A` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:31:9
[INFO] [stdout]    |
[INFO] [stdout] 31 |     let A = a.center();
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `a`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `B` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:32:9
[INFO] [stdout]    |
[INFO] [stdout] 32 |     let B = b.center();
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `b`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `C` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:33:9
[INFO] [stdout]    |
[INFO] [stdout] 33 |     let C = atom.position;
[INFO] [stdout]    |         ^ help: convert the identifier to snake case (notice the capitalization): `c`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `P` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:39:9
[INFO] [stdout]    |
[INFO] [stdout] 39 |     let P = [
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `p`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `dT` should have a snake case name
[INFO] [stdout]   --> src/integrals/kinetic.rs:76:13
[INFO] [stdout]    |
[INFO] [stdout] 76 |     let mut dT = vec![[zero.clone(), zero.clone(), zero.clone()]; natoms];
[INFO] [stdout]    |             ^^ help: convert the identifier to snake case: `d_t`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(non_snake_case)]` (part of `#[warn(nonstandard_style)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `A` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:31:9
[INFO] [stdout]    |
[INFO] [stdout] 31 |     let A = a.center();
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `a`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `B` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:32:9
[INFO] [stdout]    |
[INFO] [stdout] 32 |     let B = b.center();
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `b`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `C` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:33:9
[INFO] [stdout]    |
[INFO] [stdout] 33 |     let C = atom.position;
[INFO] [stdout]    |         ^ help: convert the identifier to snake case (notice the capitalization): `c`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable `P` should have a snake case name
[INFO] [stdout]   --> src/integrals/nuclear.rs:39:9
[INFO] [stdout]    |
[INFO] [stdout] 39 |     let P = [
[INFO] [stdout]    |         ^ help: convert the identifier to snake case: `p`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]  --> tests/test_libxc_minimal.rs:7:9
[INFO] [stdout]   |
[INFO] [stdout] 7 |     let mut lda_x = LibXC::new(1, false);
[INFO] [stdout]   |         ----^^^^^
[INFO] [stdout]   |         |
[INFO] [stdout]   |         help: remove this `mut`
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]  --> tests/test_libxc_minimal.rs:8:9
[INFO] [stdout]   |
[INFO] [stdout] 8 |     let mut lda_c = LibXC::new(12, false);
[INFO] [stdout]   |         ----^^^^^
[INFO] [stdout]   |         |
[INFO] [stdout]   |         help: remove this `mut`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `RunMode`
[INFO] [stdout]  --> tests/stress_test.rs:1:55
[INFO] [stdout]   |
[INFO] [stdout] 1 | use quantum_engine::input::types::{InputFile, Method, RunMode};
[INFO] [stdout]   |                                                       ^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `Verbosity`
[INFO] [stdout]  --> tests/stress_test.rs:4:48
[INFO] [stdout]   |
[INFO] [stdout] 4 | use quantum_engine::io::writer::{OutputWriter, Verbosity};
[INFO] [stdout]   |                                                ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_mp2_h2o.rs:3:9
[INFO] [stdout]   |
[INFO] [stdout] 3 |     use nalgebra::DMatrix;
[INFO] [stdout]   |         ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::system::molecule::Molecule`
[INFO] [stdout]  --> examples/debug_grad.rs:2:5
[INFO] [stdout]   |
[INFO] [stdout] 2 | use quantum_engine::system::molecule::Molecule;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `build_vxc`
[INFO] [stdout]  --> examples/debug_grad.rs:4:42
[INFO] [stdout]   |
[INFO] [stdout] 4 | use quantum_engine::dft::vxc::{XcMethod, build_vxc};
[INFO] [stdout]   |                                          ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::scf::jk::build_jk`
[INFO] [stdout]  --> tests/test_grad_components_diagnostic.rs:6:5
[INFO] [stdout]   |
[INFO] [stdout] 6 | use quantum_engine::scf::jk::build_jk;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::one_electron::grad_one_electron`
[INFO] [stdout]   --> tests/test_grad_components_diagnostic.rs:10:5
[INFO] [stdout]    |
[INFO] [stdout] 10 | use quantum_engine::gradients::one_electron::grad_one_electron;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::two_electron::grad_two_electron`
[INFO] [stdout]   --> tests/test_grad_components_diagnostic.rs:11:5
[INFO] [stdout]    |
[INFO] [stdout] 11 | use quantum_engine::gradients::two_electron::grad_two_electron;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::pulay::grad_pulay`
[INFO] [stdout]   --> tests/test_grad_components_diagnostic.rs:12:5
[INFO] [stdout]    |
[INFO] [stdout] 12 | use quantum_engine::gradients::pulay::grad_pulay;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::nuclear::grad_nuclear_repulsion`
[INFO] [stdout]   --> tests/test_grad_components_diagnostic.rs:13:5
[INFO] [stdout]    |
[INFO] [stdout] 13 | use quantum_engine::gradients::nuclear::grad_nuclear_repulsion;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/test_ts_neb_core.rs:54:9
[INFO] [stdout]    |
[INFO] [stdout] 54 |     let mut band = NebBand {
[INFO] [stdout]    |         ----^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `band`
[INFO] [stdout]   --> tests/test_ts_neb_core.rs:54:9
[INFO] [stdout]    |
[INFO] [stdout] 54 |     let mut band = NebBand {
[INFO] [stdout]    |         ^^^^^^^^ help: if this is intentional, prefix it with an underscore: `_band`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> examples/check_scf_stability.rs:18:9
[INFO] [stdout]    |
[INFO] [stdout] 18 |     let mut scf_opts = ScfOptions {
[INFO] [stdout]    |         ----^^^^^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused imports: `RunMode` and `parse_input_file`
[INFO] [stdout]  --> examples/test_grad_sign.rs:1:37
[INFO] [stdout]   |
[INFO] [stdout] 1 | use quantum_engine::input::{Method, RunMode, InputFile, parse_input_file};
[INFO] [stdout]   |                                     ^^^^^^^             ^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::scf::utils::build_one_electron_matrix`
[INFO] [stdout]  --> tests/test_parallel_speedup.rs:7:5
[INFO] [stdout]   |
[INFO] [stdout] 7 | use quantum_engine::scf::utils::build_one_electron_matrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::overlap_contracted::overlap_shell_shell`
[INFO] [stdout]  --> tests/test_parallel_speedup.rs:8:5
[INFO] [stdout]   |
[INFO] [stdout] 8 | use quantum_engine::integrals::overlap_contracted::overlap_shell_shell;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_parallel_speedup.rs:9:5
[INFO] [stdout]   |
[INFO] [stdout] 9 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `nalgebra::base::matrix_view::<impl nalgebra::Matrix<T, R, C, S>>::slice`: Use view instead. See [issue #1076](https://github.com/dimforge/nalgebra/issues/1076) for more information.
[INFO] [stdout]    --> tests/test_grad_components_diagnostic.rs:133:49
[INFO] [stdout]     |
[INFO] [stdout] 133 | ...   let dt_cont = factor * (density.slice((shell_i.ao_offset(), shell_j.ao_offset()), (shell_i.n_orbitals(), shell_j.n_orbitals()...
[INFO] [stdout]     |                                       ^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(deprecated)]` on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: use of deprecated method `nalgebra::base::matrix_view::<impl nalgebra::Matrix<T, R, C, S>>::slice`: Use view instead. See [issue #1076](https://github.com/dimforge/nalgebra/issues/1076) for more information.
[INFO] [stdout]    --> tests/test_grad_components_diagnostic.rs:134:49
[INFO] [stdout]     |
[INFO] [stdout] 134 | ...   let dv_cont = factor * (density.slice((shell_i.ao_offset(), shell_j.ao_offset()), (shell_i.n_orbitals(), shell_j.n_orbitals()...
[INFO] [stdout]     |                                       ^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> examples/test_grad_sign.rs:20:9
[INFO] [stdout]    |
[INFO] [stdout] 20 |     let mut scf_opts = ScfOptions::from_input(&input);
[INFO] [stdout]    |         ----^^^^^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ScfResult`
[INFO] [stdout]   --> tests/test_gradient_uhf.rs:13:68
[INFO] [stdout]    |
[INFO] [stdout] 13 |     use quantum_engine::scf::scf_cycle::{scf_dispatch, ScfOptions, ScfResult};
[INFO] [stdout]    |                                                                    ^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `atoms`
[INFO] [stdout]   --> tests/test_overlap_gradient.rs:34:9
[INFO] [stdout]    |
[INFO] [stdout] 34 |     let atoms = vec![
[INFO] [stdout]    |         ^^^^^ help: if this is intentional, prefix it with an underscore: `_atoms`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `e0`
[INFO] [stdout]   --> tests/test_gradient_uhf.rs:93:13
[INFO] [stdout]    |
[INFO] [stdout] 93 |         let e0 = run_scf_at(r);
[INFO] [stdout]    |             ^^ help: if this is intentional, prefix it with an underscore: `_e0`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `h_basis`
[INFO] [stdout]   --> tests/test_specific_eri.rs:10:9
[INFO] [stdout]    |
[INFO] [stdout] 10 |     let h_basis = read_basis_set("sto-3g", "H").unwrap();
[INFO] [stdout]    |         ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_h_basis`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `i`
[INFO] [stdout]   --> tests/test_specific_eri.rs:16:10
[INFO] [stdout]    |
[INFO] [stdout] 16 |     for (i, shell_data) in o_basis.shells.iter().enumerate() {
[INFO] [stdout]    |          ^ help: if this is intentional, prefix it with an underscore: `_i`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `s`
[INFO] [stdout]   --> tests/test_h2_components.rs:83:37
[INFO] [stdout]    |
[INFO] [stdout] 83 |     let (_, _, _, _, density, fock, s) = common::get_energy_components(r0);
[INFO] [stdout]    |                                     ^ help: if this is intentional, prefix it with an underscore: `_s`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> examples/neb_h3.rs:24:9
[INFO] [stdout]    |
[INFO] [stdout] 24 |     let mut scf_opts = ScfOptions {
[INFO] [stdout]    |         ----^^^^^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/test_ri_grad_units.rs:43:21
[INFO] [stdout]    |
[INFO] [stdout] 43 |                 let mut pos_p = [a_pos, b_pos, c_pos];
[INFO] [stdout]    |                     ----^^^^^
[INFO] [stdout]    |                     |
[INFO] [stdout]    |                     help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/test_ri_grad_units.rs:45:21
[INFO] [stdout]    |
[INFO] [stdout] 45 |                 let mut get_val = |disp: f64| {
[INFO] [stdout]    |                     ----^^^^^^^
[INFO] [stdout]    |                     |
[INFO] [stdout]    |                     help: remove this `mut`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/test_ri_grad_units.rs:86:21
[INFO] [stdout]    |
[INFO] [stdout] 86 |                 let mut pos_p = [a_pos, b_pos];
[INFO] [stdout]    |                     ----^^^^^
[INFO] [stdout]    |                     |
[INFO] [stdout]    |                     help: remove this `mut`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/test_ri_grad_units.rs:88:21
[INFO] [stdout]    |
[INFO] [stdout] 88 |                 let mut get_val = |disp: f64| {
[INFO] [stdout]    |                     ----^^^^^^^
[INFO] [stdout]    |                     |
[INFO] [stdout]    |                     help: remove this `mut`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_eri_compare.rs:1:5
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::scf::jk::build_jk`
[INFO] [stdout]  --> tests/test_grad_1e_isolation.rs:6:5
[INFO] [stdout]   |
[INFO] [stdout] 6 | use quantum_engine::scf::jk::build_jk;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::one_electron::grad_one_electron`
[INFO] [stdout]   --> tests/test_grad_1e_isolation.rs:10:5
[INFO] [stdout]    |
[INFO] [stdout] 10 | use quantum_engine::gradients::one_electron::grad_one_electron;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::two_electron::grad_two_electron`
[INFO] [stdout]   --> tests/test_grad_1e_isolation.rs:11:5
[INFO] [stdout]    |
[INFO] [stdout] 11 | use quantum_engine::gradients::two_electron::grad_two_electron;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::pulay::grad_pulay`
[INFO] [stdout]   --> tests/test_grad_1e_isolation.rs:12:5
[INFO] [stdout]    |
[INFO] [stdout] 12 | use quantum_engine::gradients::pulay::grad_pulay;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::nuclear::grad_nuclear_repulsion`
[INFO] [stdout]   --> tests/test_grad_1e_isolation.rs:13:5
[INFO] [stdout]    |
[INFO] [stdout] 13 | use quantum_engine::gradients::nuclear::grad_nuclear_repulsion;
[INFO] [stdout]    |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/solvation_tests.rs:1:5
[INFO] [stdout]   |
[INFO] [stdout] 1 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ScfResult`
[INFO] [stdout]  --> tests/solvation_tests.rs:5:64
[INFO] [stdout]   |
[INFO] [stdout] 5 | use quantum_engine::scf::scf_cycle::{scf_dispatch, ScfOptions, ScfResult};
[INFO] [stdout]   |                                                                ^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::dft::vxc::XcMethod`
[INFO] [stdout]  --> tests/test_dft_lda.rs:9:5
[INFO] [stdout]   |
[INFO] [stdout] 9 | use quantum_engine::dft::vxc::XcMethod;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> tests/solvation_tests.rs:65:9
[INFO] [stdout]    |
[INFO] [stdout] 65 |     let mut atoms = vec![
[INFO] [stdout]    |         ----^^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> examples/check_dipole.rs:3:5
[INFO] [stdout]   |
[INFO] [stdout] 3 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `i`
[INFO] [stdout]   --> tests/test_jk_verify.rs:67:10
[INFO] [stdout]    |
[INFO] [stdout] 67 |     for (i, si) in shells.iter().enumerate() {
[INFO] [stdout]    |          ^ help: if this is intentional, prefix it with an underscore: `_i`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `j`
[INFO] [stdout]   --> tests/test_jk_verify.rs:68:14
[INFO] [stdout]    |
[INFO] [stdout] 68 |         for (j, sj) in shells.iter().enumerate() {
[INFO] [stdout]    |              ^ help: if this is intentional, prefix it with an underscore: `_j`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `shells`
[INFO] [stdout]   --> examples/debug_grad_3.rs:12:9
[INFO] [stdout]    |
[INFO] [stdout] 12 |     let shells = build_shells(&atoms, "sto-3g").expect("Failed to build shells");
[INFO] [stdout]    |         ^^^^^^ help: if this is intentional, prefix it with an underscore: `_shells`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused imports: `ScfOptions` and `scf_cycle`
[INFO] [stdout]  --> tests/test_grad_v_shell_pairs.rs:5:38
[INFO] [stdout]   |
[INFO] [stdout] 5 | use quantum_engine::scf::scf_cycle::{scf_cycle, ScfOptions};
[INFO] [stdout]   |                                      ^^^^^^^^^  ^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::kinetic::kinetic_shell_shell`
[INFO] [stdout]  --> tests/test_grad_v_shell_pairs.rs:7:5
[INFO] [stdout]   |
[INFO] [stdout] 7 | use quantum_engine::integrals::kinetic::kinetic_shell_shell;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `GridPoint`
[INFO] [stdout]  --> tests/test_dft_debug.rs:6:42
[INFO] [stdout]   |
[INFO] [stdout] 6 | use quantum_engine::dft::grid::{DftGrid, GridPoint};
[INFO] [stdout]   |                                          ^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `density`
[INFO] [stdout]   --> examples/debug_grad_3.rs:13:9
[INFO] [stdout]    |
[INFO] [stdout] 13 |     let density = DMatrix::identity(2, 2) * 1.0; 
[INFO] [stdout]    |         ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_density`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_hcore_guess.rs:7:5
[INFO] [stdout]   |
[INFO] [stdout] 7 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::eri::eri_vrr::eri_psss`
[INFO] [stdout]  --> tests/eri_diag.rs:2:5
[INFO] [stdout]   |
[INFO] [stdout] 2 | use quantum_engine::integrals::eri::eri_vrr::eri_psss;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::eri::eri_general_md::eri_general_md`
[INFO] [stdout]  --> tests/eri_diag.rs:3:5
[INFO] [stdout]   |
[INFO] [stdout] 3 | use quantum_engine::integrals::eri::eri_general_md::eri_general_md;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_gradient_h2o_ri.rs:2:5
[INFO] [stdout]   |
[INFO] [stdout] 2 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::basis::primitive::Primitive`
[INFO] [stdout]  --> tests/test_hermite_e.rs:1:5
[INFO] [stdout]   |
[INFO] [stdout] 1 | use quantum_engine::basis::primitive::Primitive;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `build_matrices` is never used
[INFO] [stdout]   --> tests/test_grad_v_shell_pairs.rs:53:4
[INFO] [stdout]    |
[INFO] [stdout] 53 | fn build_matrices(shells: &[Shell], atoms: &[Atom]) -> (DMatrix<f64>, DMatrix<f64>) {
[INFO] [stdout]    |    ^^^^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::eri::eri_contracted::eri_shell_shell_shell_shell`
[INFO] [stdout]  --> tests/test_compare.rs:1:5
[INFO] [stdout]   |
[INFO] [stdout] 1 | use quantum_engine::integrals::eri::eri_contracted::eri_shell_shell_shell_shell;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::basis::build_shells`
[INFO] [stdout]  --> tests/test_compare.rs:2:5
[INFO] [stdout]   |
[INFO] [stdout] 2 | use quantum_engine::basis::build_shells;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::system::molecule::Molecule`
[INFO] [stdout]  --> tests/test_compare.rs:3:5
[INFO] [stdout]   |
[INFO] [stdout] 3 | use quantum_engine::system::molecule::Molecule;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::scf::jk::build_jk`
[INFO] [stdout]  --> tests/test_speedup_benchmark.rs:5:5
[INFO] [stdout]   |
[INFO] [stdout] 5 | use quantum_engine::scf::jk::build_jk; // build_jk_parallel removed
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `nalgebra::DMatrix`
[INFO] [stdout]  --> tests/test_speedup_benchmark.rs:6:5
[INFO] [stdout]   |
[INFO] [stdout] 6 | use nalgebra::DMatrix;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `std::time::Instant`
[INFO] [stdout]  --> tests/test_speedup_benchmark.rs:7:5
[INFO] [stdout]   |
[INFO] [stdout] 7 | use std::time::Instant;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: variable does not need to be mutable
[INFO] [stdout]   --> examples/h2o_benchmark.rs:14:9
[INFO] [stdout]    |
[INFO] [stdout] 14 |     let mut atoms = vec![
[INFO] [stdout]    |         ----^^^^^
[INFO] [stdout]    |         |
[INFO] [stdout]    |         help: remove this `mut`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `build_h2o_shells` is never used
[INFO] [stdout]  --> tests/test_speedup_benchmark.rs:9:4
[INFO] [stdout]   |
[INFO] [stdout] 9 | fn build_h2o_shells() -> Vec<Shell> {
[INFO] [stdout]   |    ^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `grad_nuclear_repulsion` is never used
[INFO] [stdout]   --> tests/test_gradient_h2.rs:85:8
[INFO] [stdout]    |
[INFO] [stdout] 85 |     fn grad_nuclear_repulsion(atoms: &[Atom]) -> Vec<[f64; 3]> {
[INFO] [stdout]    |        ^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ScfResult`
[INFO] [stdout]  --> tests/test_high_l.rs:5:61
[INFO] [stdout]   |
[INFO] [stdout] 5 | use quantum_engine::scf::scf_cycle::{scf_cycle, ScfOptions, ScfResult};
[INFO] [stdout]   |                                                             ^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `ScfResult`
[INFO] [stdout]   --> tests/test_gradient_h2o.rs:44:65
[INFO] [stdout]    |
[INFO] [stdout] 44 |     use quantum_engine::scf::scf_cycle::{scf_cycle, ScfOptions, ScfResult};
[INFO] [stdout]    |                                                                 ^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::gradients::nuclear::grad_nuclear_repulsion`
[INFO] [stdout]   --> tests/test_gradient_h2o.rs:46:9
[INFO] [stdout]    |
[INFO] [stdout] 46 |     use quantum_engine::gradients::nuclear::grad_nuclear_repulsion;
[INFO] [stdout]    |         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `lebedev`
[INFO] [stdout]   --> tests/test_gradients_dft_xc.rs:72:9
[INFO] [stdout]    |
[INFO] [stdout] 72 |     let lebedev = LebedevOrder::L302;
[INFO] [stdout]    |         ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_lebedev`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `v_p`
[INFO] [stdout]   --> tests/test_gradients_dft_xc.rs:84:18
[INFO] [stdout]    |
[INFO] [stdout] 84 |             let (v_p, en_p) = build_vxc(&shells_p, &density, None, None, &atoms_p, method.clone(), Some(&grid_p));
[INFO] [stdout]    |                  ^^^ help: if this is intentional, prefix it with an underscore: `_v_p`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `v_m`
[INFO] [stdout]   --> tests/test_gradients_dft_xc.rs:89:18
[INFO] [stdout]    |
[INFO] [stdout] 89 |             let (v_m, en_m) = build_vxc(&shells_m, &density, None, None, &atoms_m, method.clone(), Some(&grid_m));
[INFO] [stdout]    |                  ^^^ help: if this is intentional, prefix it with an underscore: `_v_m`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused import: `quantum_engine::integrals::kinetic::kinetic_shell_shell`
[INFO] [stdout]  --> tests/test_d_orbitals.rs:4:5
[INFO] [stdout]   |
[INFO] [stdout] 4 | use quantum_engine::integrals::kinetic::kinetic_shell_shell;
[INFO] [stdout]   |     ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
[INFO] [stdout]   |
[INFO] [stdout]   = note: `#[warn(unused_imports)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `i`
[INFO] [stdout]   --> tests/test_high_l.rs:35:10
[INFO] [stdout]    |
[INFO] [stdout] 35 |     for (i, si) in shells.iter().enumerate() {
[INFO] [stdout]    |          ^ help: if this is intentional, prefix it with an underscore: `_i`
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `j`
[INFO] [stdout]   --> tests/test_high_l.rs:36:14
[INFO] [stdout]    |
[INFO] [stdout] 36 |         for (j, sj) in shells.iter().enumerate() {
[INFO] [stdout]    |              ^ help: if this is intentional, prefix it with an underscore: `_j`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: unused variable: `nao`
[INFO] [stdout]   --> tests/test_high_l.rs:80:9
[INFO] [stdout]    |
[INFO] [stdout] 80 |     let nao: usize = shells.iter().map(|s| s.n_orbitals()).sum();
[INFO] [stdout]    |         ^^^ help: if this is intentional, prefix it with an underscore: `_nao`
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stdout] warning: function `nuclear_repulsion` is never used
[INFO] [stdout]    --> tests/test_gradient_h2o.rs:155:8
[INFO] [stdout]     |
[INFO] [stdout] 155 |     fn nuclear_repulsion(atoms: &[Atom]) -> f64 {
[INFO] [stdout]     |        ^^^^^^^^^^^^^^^^^
[INFO] [stdout]     |
[INFO] [stdout]     = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default
[INFO] [stdout] 
[INFO] [stdout] 
[INFO] [stderr]     Finished `dev` profile [unoptimized + debuginfo] target(s) in 2m 51s
[INFO] running `Command { std: "docker" "inspect" "46bff15aaf8bb4833528aeffdeb90c9634d0453b23cc3621818dbe903af553a2", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "rm" "-f" "46bff15aaf8bb4833528aeffdeb90c9634d0453b23cc3621818dbe903af553a2", kill_on_drop: false }`
[INFO] [stdout] 46bff15aaf8bb4833528aeffdeb90c9634d0453b23cc3621818dbe903af553a2
