[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 master#31a9463c6e2794a59ce57a8f37abc6966afc2a58 for pr-149045 [INFO] running `Command { std: "git" "clone" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Fboleklolek%2Fquantum_engine" "/workspace/builds/worker-2-tc1/source", kill_on_drop: false }` [INFO] [stderr] Cloning into '/workspace/builds/worker-2-tc1/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-tc1/source/Cargo.toml [INFO] validating manifest of git repo https://github.com/boleklolek/quantum_engine on toolchain 31a9463c6e2794a59ce57a8f37abc6966afc2a58 [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+31a9463c6e2794a59ce57a8f37abc6966afc2a58" "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" "+31a9463c6e2794a59ce57a8f37abc6966afc2a58" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] [stderr] Updating crates.io index [INFO] [stderr] Downloading crates ... [INFO] [stderr] Downloaded yaml-rust2 v0.9.0 [INFO] [stderr] Downloaded three-d-asset v0.7.0 [INFO] [stderr] Downloaded rfd v0.15.4 [INFO] [stderr] Downloaded toml_edit v0.25.3+spec-1.1.0 [INFO] [stderr] Downloaded three-d v0.17.1 [INFO] [stderr] Downloaded uds_windows v1.2.0 [INFO] [stderr] Downloaded font-kit v0.14.3 [INFO] [stderr] Downloaded glam v0.30.9 [INFO] [stderr] Downloaded egui_plot v0.29.0 [INFO] [stderr] Downloaded webbrowser v1.1.0 [INFO] [stderr] Downloaded wayland-protocols-misc v0.3.10 [INFO] [stderr] Downloaded immutable-chunkmap v2.1.2 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/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" "+31a9463c6e2794a59ce57a8f37abc6966afc2a58" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] bc37063ecaf58ff3a3970f1dcdef84042c16c862ef7655c1f793602b4904b987 [INFO] running `Command { std: "docker" "start" "-a" "bc37063ecaf58ff3a3970f1dcdef84042c16c862ef7655c1f793602b4904b987", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "bc37063ecaf58ff3a3970f1dcdef84042c16c862ef7655c1f793602b4904b987", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "bc37063ecaf58ff3a3970f1dcdef84042c16c862ef7655c1f793602b4904b987", kill_on_drop: false }` [INFO] [stdout] bc37063ecaf58ff3a3970f1dcdef84042c16c862ef7655c1f793602b4904b987 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-2-tc1/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" "+31a9463c6e2794a59ce57a8f37abc6966afc2a58" "check" "--frozen" "--all" "--all-targets" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] ec3dd27587761c3816ec2e71b00fddee2bd2d24d87d3391985ee79f9aff770b8 [INFO] running `Command { std: "docker" "start" "-a" "ec3dd27587761c3816ec2e71b00fddee2bd2d24d87d3391985ee79f9aff770b8", kill_on_drop: false }` [INFO] [stderr] Compiling proc-macro2 v1.0.104 [INFO] [stderr] Compiling libc v0.2.182 [INFO] [stderr] Compiling rustix v1.1.4 [INFO] [stderr] Checking linux-raw-sys v0.12.1 [INFO] [stderr] Compiling quote v1.0.42 [INFO] [stderr] Compiling toml_datetime v1.0.0+spec-1.1.0 [INFO] [stderr] Checking dlib v0.5.3 [INFO] [stderr] Compiling toml_parser v1.0.9+spec-1.1.0 [INFO] [stderr] Compiling xml-rs v0.8.28 [INFO] [stderr] Compiling wayland-sys v0.31.8 [INFO] [stderr] Checking event-listener-strategy v0.5.4 [INFO] [stderr] Checking futures-lite v2.6.1 [INFO] [stderr] Checking piper v0.2.5 [INFO] [stderr] Checking owned_ttf_parser v0.25.1 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[INFO] [stderr] Checking memmap2 v0.5.10 [INFO] [stderr] Checking dirs-sys v0.5.0 [INFO] [stderr] Checking mio v0.8.11 [INFO] [stderr] Checking dirs v6.0.0 [INFO] [stderr] Checking png v0.18.1 [INFO] [stderr] Checking approx v0.5.1 [INFO] [stderr] Checking instant v0.1.13 [INFO] [stderr] Checking libloading v0.7.4 [INFO] [stderr] Checking strength_reduce v0.2.4 [INFO] [stderr] Compiling rfd v0.15.4 [INFO] [stderr] Checking glow v0.14.2 [INFO] [stderr] Checking transpose v0.2.3 [INFO] [stderr] Checking clap_builder v4.5.60 [INFO] [stderr] Checking chrono v0.4.44 [INFO] [stderr] Checking primal-check v0.3.4 [INFO] [stderr] Checking num-rational v0.4.2 [INFO] [stderr] Compiling quantum_engine v0.1.0 (/opt/rustwide/workdir) [INFO] [stderr] Checking pollster v0.4.0 [INFO] [stderr] Checking arraydeque v0.5.1 [INFO] [stderr] Checking wayland-commons v0.29.5 [INFO] [stderr] Checking rayon v1.11.0 [INFO] [stderr] Checking wayland-cursor v0.29.5 [INFO] [stderr] Checking polling v3.11.0 [INFO] [stderr] Checking wayland-backend v0.3.12 [INFO] [stderr] Checking gethostname v1.1.0 [INFO] [stderr] Checking x11rb v0.13.2 [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] [stderr] Compiling async-trait v0.1.89 [INFO] [stderr] Compiling zbus_macros v4.4.0 [INFO] [stderr] Compiling thiserror-impl v2.0.18 [INFO] [stderr] Compiling async-recursion v1.1.1 [INFO] [stderr] Checking futures-util v0.3.32 [INFO] [stderr] Checking arboard v3.6.1 [INFO] [stderr] Compiling clap_derive v4.5.55 [INFO] [stderr] Checking wayland-protocols v0.32.10 [INFO] [stderr] Checking wayland-cursor v0.31.12 [INFO] [stderr] Checking zerofrom v0.1.6 [INFO] [stderr] Compiling nalgebra-macros v0.3.0 [INFO] [stderr] Checking bytemuck v1.24.0 [INFO] [stderr] Checking tracing v0.1.44 [INFO] [stderr] Checking thiserror v1.0.69 [INFO] [stderr] Checking yoke v0.8.1 [INFO] [stderr] Checking calloop v0.13.0 [INFO] [stderr] Checking calloop v0.10.6 [INFO] [stderr] Checking zerocopy v0.8.39 [INFO] [stderr] Checking calloop v0.14.4 [INFO] [stderr] Checking emath v0.29.1 [INFO] [stderr] Checking tiny-skia-path v0.11.4 [INFO] [stderr] Checking tiny-skia-path v0.8.4 [INFO] [stderr] Checking 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[stderr] Checking rand v0.9.2 [INFO] [stderr] Checking zbus_xml v4.0.0 [INFO] [stderr] Checking hashlink v0.9.1 [INFO] [stderr] Compiling zbus_names v4.3.1 [INFO] [stderr] Checking wayland-protocols-wlr v0.3.10 [INFO] [stderr] Checking wayland-protocols-plasma v0.3.10 [INFO] [stderr] Checking wayland-protocols-misc v0.3.10 [INFO] [stderr] Checking zbus-lockstep v0.4.4 [INFO] [stderr] Checking wayland-protocols-experimental v20250721.0.1 [INFO] [stderr] Checking yaml-rust2 v0.9.0 [INFO] [stderr] Checking egui v0.29.1 [INFO] [stderr] Checking zbus v4.4.0 [INFO] [stderr] Compiling zbus-lockstep-macros v0.4.4 [INFO] [stderr] Compiling zbus_macros v5.14.0 [INFO] [stderr] Checking smithay-client-toolkit v0.19.2 [INFO] [stderr] Checking nalgebra v0.34.1 [INFO] [stderr] Checking sctk-adwaita v0.10.1 [INFO] [stderr] Checking smithay-clipboard v0.7.3 [INFO] [stderr] Checking zbus v5.14.0 [INFO] [stderr] Checking egui_glow v0.29.1 [INFO] [stderr] Checking egui_plot v0.29.0 [INFO] [stderr] Checking atspi-common v0.6.0 [INFO] [stderr] Checking sctk-adwaita v0.5.4 [INFO] [stderr] Checking three-d v0.17.1 [INFO] [stderr] Checking ashpd v0.11.1 [INFO] [stderr] Checking atspi-proxies v0.6.0 [INFO] [stderr] Checking accesskit_atspi_common v0.9.3 [INFO] [stderr] Checking atspi-connection v0.6.0 [INFO] [stderr] Checking atspi v0.22.0 [INFO] [stderr] Checking accesskit_unix v0.12.3 [INFO] [stderr] Checking accesskit_winit v0.22.4 [INFO] [stderr] Checking egui-winit v0.29.1 [INFO] [stderr] Checking eframe v0.29.1 [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: `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: 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: 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: 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: 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` 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 [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` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [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` 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 [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 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: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: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: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: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: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: 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: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 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` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: falling back to `f32` as the trait bound `f32: From` 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 [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: 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 `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: 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: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 `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/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/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::>::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: 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::>::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, [INFO] [stdout] | ^^^^^^^ help: if this is intentional, prefix it with an underscore: `_overlap` [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, [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: 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: 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: 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) -> Vec { [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: 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) -> Vec { [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: 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: 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 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: `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 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 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 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: 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: 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: 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: 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: 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/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 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 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 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: `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: 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] --> tests/test_parallel_speedup.rs:9:5 [INFO] [stdout] | [INFO] [stdout] 9 | use nalgebra::DMatrix; [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: `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 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 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: 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: 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, DMatrix) { [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: `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 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: 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 { [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 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 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 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: 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: 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: `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::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: 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: 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: 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::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: `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: `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::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: 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: use of deprecated method `nalgebra::base::matrix_view::>::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::>::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: 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 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: 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: 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 25.48s [INFO] running `Command { std: "docker" "inspect" "ec3dd27587761c3816ec2e71b00fddee2bd2d24d87d3391985ee79f9aff770b8", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "ec3dd27587761c3816ec2e71b00fddee2bd2d24d87d3391985ee79f9aff770b8", kill_on_drop: false }` [INFO] [stdout] ec3dd27587761c3816ec2e71b00fddee2bd2d24d87d3391985ee79f9aff770b8