[INFO] cloning repository https://github.com/laurin-hefti/Hartree-Fock [INFO] running `Command { std: "git" "-c" "credential.helper=" "-c" "credential.helper=/workspace/cargo-home/bin/git-credential-null" "clone" "--bare" "https://github.com/laurin-hefti/Hartree-Fock" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Flaurin-hefti%2FHartree-Fock", kill_on_drop: false }` [INFO] [stderr] Cloning into bare repository '/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Flaurin-hefti%2FHartree-Fock'... [INFO] running `Command { std: "git" "rev-parse" "HEAD", kill_on_drop: false }` [INFO] [stdout] bc6dbfd66d39c339c05cac8c9b7c2ed71e4f9075 [INFO] testing laurin-hefti/Hartree-Fock against try#bd7d74411512a3dd3b35d2f699c51dd2557c7e7e+cargoflags=-Zbuild-dir-new-layout for pr-149852-1 [INFO] running `Command { std: "git" "clone" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2Flaurin-hefti%2FHartree-Fock" "/workspace/builds/worker-0-tc2/source", kill_on_drop: false }` [INFO] [stderr] Cloning into '/workspace/builds/worker-0-tc2/source'... [INFO] [stderr] done. [INFO] started tweaking git repo https://github.com/laurin-hefti/Hartree-Fock [INFO] finished tweaking git repo https://github.com/laurin-hefti/Hartree-Fock [INFO] tweaked toml for git repo https://github.com/laurin-hefti/Hartree-Fock written to /workspace/builds/worker-0-tc2/source/Cargo.toml [INFO] validating manifest of git repo https://github.com/laurin-hefti/Hartree-Fock on toolchain bd7d74411512a3dd3b35d2f699c51dd2557c7e7e [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }` [INFO] crate git repo https://github.com/laurin-hefti/Hartree-Fock 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" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] [stderr] Blocking waiting for file lock on package cache [INFO] [stderr] Blocking waiting for file lock on package cache [INFO] [stderr] Downloading crates ... [INFO] [stderr] Downloaded statrs v0.16.1 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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:aa71247004a7fa38d13ec170f48f06cdedf5bc50b2a8645e56ed7e992e6fa513" "/opt/rustwide/cargo-home/bin/cargo" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] cb217b27b75cba5ca7b2603130e442e01d7e69b162df47874570d5f4e190eb97 [INFO] running `Command { std: "docker" "start" "-a" "cb217b27b75cba5ca7b2603130e442e01d7e69b162df47874570d5f4e190eb97", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "cb217b27b75cba5ca7b2603130e442e01d7e69b162df47874570d5f4e190eb97", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "cb217b27b75cba5ca7b2603130e442e01d7e69b162df47874570d5f4e190eb97", kill_on_drop: false }` [INFO] [stdout] cb217b27b75cba5ca7b2603130e442e01d7e69b162df47874570d5f4e190eb97 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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:aa71247004a7fa38d13ec170f48f06cdedf5bc50b2a8645e56ed7e992e6fa513" "/opt/rustwide/cargo-home/bin/cargo" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "build" "--frozen" "--message-format=json" "-Zbuild-dir-new-layout", kill_on_drop: false }` [INFO] [stdout] 7da5383e1d8ab8f6b3bfb1227dbcbe817b827277b0640b6bf37a22bf8485238b [INFO] running `Command { std: "docker" "start" "-a" "7da5383e1d8ab8f6b3bfb1227dbcbe817b827277b0640b6bf37a22bf8485238b", kill_on_drop: false }` [INFO] [stderr] Compiling autocfg v1.5.0 [INFO] [stderr] Compiling libm v0.2.15 [INFO] [stderr] Compiling unicode-ident v1.0.19 [INFO] [stderr] Compiling libc v0.2.175 [INFO] [stderr] Compiling zerocopy v0.8.27 [INFO] [stderr] Compiling bytemuck v1.23.2 [INFO] [stderr] Compiling syn v1.0.109 [INFO] [stderr] Compiling typenum v1.18.0 [INFO] [stderr] Compiling rawpointer v0.2.1 [INFO] [stderr] Compiling proc-macro2 v1.0.101 [INFO] [stderr] Compiling safe_arch v0.7.4 [INFO] [stderr] Compiling num-traits v0.2.19 [INFO] [stderr] Compiling matrixmultiply v0.3.10 [INFO] [stderr] Compiling quote v1.0.40 [INFO] [stderr] Compiling wide v0.7.33 [INFO] [stderr] Compiling syn v2.0.106 [INFO] [stderr] Compiling getrandom v0.2.16 [INFO] [stderr] Compiling rand_core v0.6.4 [INFO] [stderr] Compiling num-complex v0.4.6 [INFO] [stderr] Compiling approx v0.5.1 [INFO] [stderr] Compiling num-integer v0.1.46 [INFO] [stderr] Compiling ppv-lite86 v0.2.21 [INFO] [stderr] Compiling num-rational v0.4.2 [INFO] [stderr] Compiling simba v0.6.0 [INFO] [stderr] Compiling simba v0.8.1 [INFO] [stderr] Compiling rand_chacha v0.3.1 [INFO] [stderr] Compiling rand v0.8.5 [INFO] [stderr] Compiling nalgebra-macros v0.1.0 [INFO] [stderr] Compiling rand_distr v0.4.3 [INFO] [stderr] Compiling nalgebra-macros v0.2.2 [INFO] [stderr] Compiling nalgebra v0.29.0 [INFO] [stderr] Compiling nalgebra v0.32.6 [INFO] [stderr] Compiling statrs v0.16.1 [INFO] [stderr] Compiling HF v0.1.0 (/opt/rustwide/workdir) [INFO] [stdout] warning: unnecessary parentheses around `return` value [INFO] [stdout] --> src/integrator.rs:191:12 [INFO] [stdout] | [INFO] [stdout] 191 | return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_parens)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 191 - return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stdout] 191 + return y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s ; [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unnecessary parentheses around `if` condition [INFO] [stdout] --> src/utils.rs:77:12 [INFO] [stdout] | [INFO] [stdout] 77 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 77 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] 77 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unnecessary parentheses around `if` condition [INFO] [stdout] --> src/utils.rs:93:12 [INFO] [stdout] | [INFO] [stdout] 93 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 93 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] 93 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `alpha` [INFO] [stdout] --> src/orb.rs:8:30 [INFO] [stdout] | [INFO] [stdout] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stdout] | ^^^^^ help: if this is intentional, prefix it with an underscore: `_alpha` [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] --> src/integrator.rs:239:9 [INFO] [stdout] | [INFO] [stdout] 239 | let mut pq = p+q; [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: `DIIS` [INFO] [stdout] --> src/HartreeFock.rs:194:13 [INFO] [stdout] | [INFO] [stdout] 194 | let DIIS: bool = true; [INFO] [stdout] | ^^^^ help: if this is intentional, prefix it with an underscore: `_DIIS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` is never used [INFO] [stdout] --> src/utils.rs:4:7 [INFO] [stdout] | [INFO] [stdout] 4 | const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `test_calculation` is never used [INFO] [stdout] --> src/HartreeFock.rs:165:8 [INFO] [stdout] | [INFO] [stdout] 18 | impl HF { [INFO] [stdout] | ------- method in this implementation [INFO] [stdout] ... [INFO] [stdout] 165 | fn test_calculation(&self, sys: &System) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: module `HartreeFock` should have a snake case name [INFO] [stdout] --> src/main.rs:6:9 [INFO] [stdout] | [INFO] [stdout] 6 | pub mod HartreeFock; [INFO] [stdout] | ^^^^^^^^^^^ help: convert the identifier to snake case: `hartree_fock` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(non_snake_case)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/orb.rs:4:11 [INFO] [stdout] | [INFO] [stdout] 4 | pub const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(non_upper_case_globals)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `H1S_rel` should have a snake case name [INFO] [stdout] --> src/orb.rs:8:8 [INFO] [stdout] | [INFO] [stdout] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stdout] | ^^^^^^^ help: convert the identifier to snake case: `h1_s_rel` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:12:8 [INFO] [stdout] | [INFO] [stdout] 12 | pub fn GTO(c: &Vec, alpha: &Vec) -> f64{ [INFO] [stdout] | ^^^ help: convert the identifier to snake case: `gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `NORM_1S_GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:16:8 [INFO] [stdout] | [INFO] [stdout] 16 | pub fn NORM_1S_GTO(a: f64) -> f64{ [INFO] [stdout] | ^^^^^^^^^^^ help: convert the identifier to snake case: `norm_1_s_gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `NORM_GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:20:8 [INFO] [stdout] | [INFO] [stdout] 20 | pub fn NORM_GTO(l: f64, m: f64, n: f64, a: f64) -> f64{ [INFO] [stdout] | ^^^^^^^^ help: convert the identifier to snake case: `norm_gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `STO` should have a snake case name [INFO] [stdout] --> src/orb.rs:35:8 [INFO] [stdout] | [INFO] [stdout] 35 | pub fn STO(){} [INFO] [stdout] | ^^^ help: convert the identifier to snake case: `sto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/integrator.rs:6:11 [INFO] [stdout] | [INFO] [stdout] 6 | pub const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `dx` should have an upper case name [INFO] [stdout] --> src/settings.rs:1:11 [INFO] [stdout] | [INFO] [stdout] 1 | pub const dx : f64 = 0.5; [INFO] [stdout] | ^^ help: convert the identifier to upper case: `DX` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `grid_dist` should have an upper case name [INFO] [stdout] --> src/settings.rs:2:11 [INFO] [stdout] | [INFO] [stdout] 2 | pub const grid_dist : f64 = 2.0; //volume to integrate [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to upper case: `GRID_DIST` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `int_b` should have an upper case name [INFO] [stdout] --> src/settings.rs:3:11 [INFO] [stdout] | [INFO] [stdout] 3 | pub const int_b : i32 = (grid_dist / dx) as i32; [INFO] [stdout] | ^^^^^ help: convert the identifier to upper case: `INT_B` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `dx_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:5:11 [INFO] [stdout] | [INFO] [stdout] 5 | pub const dx_loss : f64 = 0.8; [INFO] [stdout] | ^^^^^^^ help: convert the identifier to upper case: `DX_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `gird_dist_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:6:11 [INFO] [stdout] | [INFO] [stdout] 6 | pub const gird_dist_loss : f64 = 2.0; [INFO] [stdout] | ^^^^^^^^^^^^^^ help: convert the identifier to upper case: `GIRD_DIST_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `int_b_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:7:11 [INFO] [stdout] | [INFO] [stdout] 7 | pub const int_b_loss : i32 = (gird_dist_loss / dx_loss) as i32; [INFO] [stdout] | ^^^^^^^^^^ help: convert the identifier to upper case: `INT_B_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `nuc_radius_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:9:11 [INFO] [stdout] | [INFO] [stdout] 9 | pub const nuc_radius_cut_off : f64 = 10e-10; [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `NUC_RADIUS_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `orb_radius_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:10:11 [INFO] [stdout] | [INFO] [stdout] 10 | pub const orb_radius_cut_off : f64 = 10e-5; [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_RADIUS_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `orb_val_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:12:11 [INFO] [stdout] | [INFO] [stdout] 12 | pub const orb_val_cut_off : f64 = 0.01; [INFO] [stdout] | ^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_VAL_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/utils.rs:4:7 [INFO] [stdout] | [INFO] [stdout] 4 | const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `S` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:10:9 [INFO] [stdout] | [INFO] [stdout] 10 | pub S: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `s` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `Hcore` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:11:9 [INFO] [stdout] | [INFO] [stdout] 11 | pub Hcore: M, [INFO] [stdout] | ^^^^^ help: convert the identifier to snake case: `hcore` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `P` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:12:9 [INFO] [stdout] | [INFO] [stdout] 12 | pub P: M, [INFO] [stdout] | ^ help: convert the identifier to snake case: `p` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `F` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:13:9 [INFO] [stdout] | [INFO] [stdout] 13 | pub F: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `f` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `C` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:14:9 [INFO] [stdout] | [INFO] [stdout] 14 | pub C: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `c` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_S` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:30:12 [INFO] [stdout] | [INFO] [stdout] 30 | pub fn calc_S(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^ help: convert the identifier to snake case (notice the capitalization): `calc_s` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_Hore` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:45:12 [INFO] [stdout] | [INFO] [stdout] 45 | pub fn calc_Hore(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case: `calc_hore` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `clac_Fock` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:77:12 [INFO] [stdout] | [INFO] [stdout] 77 | pub fn clac_Fock(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case (notice the capitalization): `clac_fock` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `Roothaan_Haal` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:111:12 [INFO] [stdout] | [INFO] [stdout] 111 | pub fn Roothaan_Haal(&mut self, sys: &System) -> (DMatrix, DVector){ [INFO] [stdout] | ^^^^^^^^^^^^^ help: convert the identifier to snake case: `roothaan_haal` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `sort_MOs` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:142:8 [INFO] [stdout] | [INFO] [stdout] 142 | fn sort_MOs(c: &mut DMatrix, e: &mut DVector) { [INFO] [stdout] | ^^^^^^^^ help: convert the identifier to snake case: `sort_mos` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `get_tot_E` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:178:8 [INFO] [stdout] | [INFO] [stdout] 178 | fn get_tot_E(&self, sys: &System) -> f64{ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case: `get_tot_e` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `SCF` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:191:12 [INFO] [stdout] | [INFO] [stdout] 191 | pub fn SCF(&mut self, sys: &System){ [INFO] [stdout] | ^^^ help: convert the identifier to snake case (notice the capitalization): `scf` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variable `DIIS` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:194:13 [INFO] [stdout] | [INFO] [stdout] 194 | let DIIS: bool = true; [INFO] [stdout] | ^^^^ help: convert the identifier to snake case: `diis` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variable `old_P` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:219:17 [INFO] [stdout] | [INFO] [stdout] 219 | let old_P: M = self.P.clone(); [INFO] [stdout] | ^^^^^ help: convert the identifier to snake case: `old_p` [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Finished `dev` profile [unoptimized + debuginfo] target(s) in 21.29s [INFO] running `Command { std: "docker" "inspect" "7da5383e1d8ab8f6b3bfb1227dbcbe817b827277b0640b6bf37a22bf8485238b", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "7da5383e1d8ab8f6b3bfb1227dbcbe817b827277b0640b6bf37a22bf8485238b", kill_on_drop: false }` [INFO] [stdout] 7da5383e1d8ab8f6b3bfb1227dbcbe817b827277b0640b6bf37a22bf8485238b [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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:aa71247004a7fa38d13ec170f48f06cdedf5bc50b2a8645e56ed7e992e6fa513" "/opt/rustwide/cargo-home/bin/cargo" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "test" "--frozen" "--no-run" "--message-format=json" "-Zbuild-dir-new-layout", kill_on_drop: false }` [INFO] [stdout] a21f5e5c31014b4ead8d505007edaaefc6eacc222a03f0d9d0fa0b9834d3a476 [INFO] running `Command { std: "docker" "start" "-a" "a21f5e5c31014b4ead8d505007edaaefc6eacc222a03f0d9d0fa0b9834d3a476", kill_on_drop: false }` [INFO] [stderr] Compiling HF v0.1.0 (/opt/rustwide/workdir) [INFO] [stdout] warning: unnecessary parentheses around `return` value [INFO] [stdout] --> src/integrator.rs:191:12 [INFO] [stdout] | [INFO] [stdout] 191 | return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_parens)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 191 - return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stdout] 191 + return y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s ; [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unnecessary parentheses around `if` condition [INFO] [stdout] --> src/utils.rs:77:12 [INFO] [stdout] | [INFO] [stdout] 77 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 77 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] 77 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unnecessary parentheses around `if` condition [INFO] [stdout] --> src/utils.rs:93:12 [INFO] [stdout] | [INFO] [stdout] 93 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] | ^ ^ [INFO] [stdout] | [INFO] [stdout] help: remove these parentheses [INFO] [stdout] | [INFO] [stdout] 93 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stdout] 93 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stdout] | [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused variable: `alpha` [INFO] [stdout] --> src/orb.rs:8:30 [INFO] [stdout] | [INFO] [stdout] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stdout] | ^^^^^ help: if this is intentional, prefix it with an underscore: `_alpha` [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] --> src/integrator.rs:239:9 [INFO] [stdout] | [INFO] [stdout] 239 | let mut pq = p+q; [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: `DIIS` [INFO] [stdout] --> src/HartreeFock.rs:194:13 [INFO] [stdout] | [INFO] [stdout] 194 | let DIIS: bool = true; [INFO] [stdout] | ^^^^ help: if this is intentional, prefix it with an underscore: `_DIIS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` is never used [INFO] [stdout] --> src/utils.rs:4:7 [INFO] [stdout] | [INFO] [stdout] 4 | const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `test_calculation` is never used [INFO] [stdout] --> src/HartreeFock.rs:165:8 [INFO] [stdout] | [INFO] [stdout] 18 | impl HF { [INFO] [stdout] | ------- method in this implementation [INFO] [stdout] ... [INFO] [stdout] 165 | fn test_calculation(&self, sys: &System) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: module `HartreeFock` should have a snake case name [INFO] [stdout] --> src/main.rs:6:9 [INFO] [stdout] | [INFO] [stdout] 6 | pub mod HartreeFock; [INFO] [stdout] | ^^^^^^^^^^^ help: convert the identifier to snake case: `hartree_fock` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(non_snake_case)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/orb.rs:4:11 [INFO] [stdout] | [INFO] [stdout] 4 | pub const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(non_upper_case_globals)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `H1S_rel` should have a snake case name [INFO] [stdout] --> src/orb.rs:8:8 [INFO] [stdout] | [INFO] [stdout] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stdout] | ^^^^^^^ help: convert the identifier to snake case: `h1_s_rel` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:12:8 [INFO] [stdout] | [INFO] [stdout] 12 | pub fn GTO(c: &Vec, alpha: &Vec) -> f64{ [INFO] [stdout] | ^^^ help: convert the identifier to snake case: `gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `NORM_1S_GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:16:8 [INFO] [stdout] | [INFO] [stdout] 16 | pub fn NORM_1S_GTO(a: f64) -> f64{ [INFO] [stdout] | ^^^^^^^^^^^ help: convert the identifier to snake case: `norm_1_s_gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `NORM_GTO` should have a snake case name [INFO] [stdout] --> src/orb.rs:20:8 [INFO] [stdout] | [INFO] [stdout] 20 | pub fn NORM_GTO(l: f64, m: f64, n: f64, a: f64) -> f64{ [INFO] [stdout] | ^^^^^^^^ help: convert the identifier to snake case: `norm_gto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `STO` should have a snake case name [INFO] [stdout] --> src/orb.rs:35:8 [INFO] [stdout] | [INFO] [stdout] 35 | pub fn STO(){} [INFO] [stdout] | ^^^ help: convert the identifier to snake case: `sto` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/integrator.rs:6:11 [INFO] [stdout] | [INFO] [stdout] 6 | pub const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `dx` should have an upper case name [INFO] [stdout] --> src/settings.rs:1:11 [INFO] [stdout] | [INFO] [stdout] 1 | pub const dx : f64 = 0.5; [INFO] [stdout] | ^^ help: convert the identifier to upper case: `DX` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `grid_dist` should have an upper case name [INFO] [stdout] --> src/settings.rs:2:11 [INFO] [stdout] | [INFO] [stdout] 2 | pub const grid_dist : f64 = 2.0; //volume to integrate [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to upper case: `GRID_DIST` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `int_b` should have an upper case name [INFO] [stdout] --> src/settings.rs:3:11 [INFO] [stdout] | [INFO] [stdout] 3 | pub const int_b : i32 = (grid_dist / dx) as i32; [INFO] [stdout] | ^^^^^ help: convert the identifier to upper case: `INT_B` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `dx_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:5:11 [INFO] [stdout] | [INFO] [stdout] 5 | pub const dx_loss : f64 = 0.8; [INFO] [stdout] | ^^^^^^^ help: convert the identifier to upper case: `DX_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `gird_dist_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:6:11 [INFO] [stdout] | [INFO] [stdout] 6 | pub const gird_dist_loss : f64 = 2.0; [INFO] [stdout] | ^^^^^^^^^^^^^^ help: convert the identifier to upper case: `GIRD_DIST_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `int_b_loss` should have an upper case name [INFO] [stdout] --> src/settings.rs:7:11 [INFO] [stdout] | [INFO] [stdout] 7 | pub const int_b_loss : i32 = (gird_dist_loss / dx_loss) as i32; [INFO] [stdout] | ^^^^^^^^^^ help: convert the identifier to upper case: `INT_B_LOSS` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `nuc_radius_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:9:11 [INFO] [stdout] | [INFO] [stdout] 9 | pub const nuc_radius_cut_off : f64 = 10e-10; [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `NUC_RADIUS_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `orb_radius_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:10:11 [INFO] [stdout] | [INFO] [stdout] 10 | pub const orb_radius_cut_off : f64 = 10e-5; [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_RADIUS_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `orb_val_cut_off` should have an upper case name [INFO] [stdout] --> src/settings.rs:12:11 [INFO] [stdout] | [INFO] [stdout] 12 | pub const orb_val_cut_off : f64 = 0.01; [INFO] [stdout] | ^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_VAL_CUT_OFF` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: constant `e` should have an upper case name [INFO] [stdout] --> src/utils.rs:4:7 [INFO] [stdout] | [INFO] [stdout] 4 | const e: f64= std::f64::consts::E; [INFO] [stdout] | ^ help: convert the identifier to upper case: `E` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `S` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:10:9 [INFO] [stdout] | [INFO] [stdout] 10 | pub S: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `s` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `Hcore` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:11:9 [INFO] [stdout] | [INFO] [stdout] 11 | pub Hcore: M, [INFO] [stdout] | ^^^^^ help: convert the identifier to snake case: `hcore` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `P` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:12:9 [INFO] [stdout] | [INFO] [stdout] 12 | pub P: M, [INFO] [stdout] | ^ help: convert the identifier to snake case: `p` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `F` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:13:9 [INFO] [stdout] | [INFO] [stdout] 13 | pub F: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `f` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: structure field `C` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:14:9 [INFO] [stdout] | [INFO] [stdout] 14 | pub C: M, [INFO] [stdout] | ^ help: convert the identifier to snake case (notice the capitalization): `c` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_S` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:30:12 [INFO] [stdout] | [INFO] [stdout] 30 | pub fn calc_S(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^ help: convert the identifier to snake case (notice the capitalization): `calc_s` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_Hore` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:45:12 [INFO] [stdout] | [INFO] [stdout] 45 | pub fn calc_Hore(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case: `calc_hore` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `clac_Fock` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:77:12 [INFO] [stdout] | [INFO] [stdout] 77 | pub fn clac_Fock(&mut self, sys: &System){ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case (notice the capitalization): `clac_fock` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `Roothaan_Haal` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:111:12 [INFO] [stdout] | [INFO] [stdout] 111 | pub fn Roothaan_Haal(&mut self, sys: &System) -> (DMatrix, DVector){ [INFO] [stdout] | ^^^^^^^^^^^^^ help: convert the identifier to snake case: `roothaan_haal` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `sort_MOs` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:142:8 [INFO] [stdout] | [INFO] [stdout] 142 | fn sort_MOs(c: &mut DMatrix, e: &mut DVector) { [INFO] [stdout] | ^^^^^^^^ help: convert the identifier to snake case: `sort_mos` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `get_tot_E` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:178:8 [INFO] [stdout] | [INFO] [stdout] 178 | fn get_tot_E(&self, sys: &System) -> f64{ [INFO] [stdout] | ^^^^^^^^^ help: convert the identifier to snake case: `get_tot_e` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `SCF` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:191:12 [INFO] [stdout] | [INFO] [stdout] 191 | pub fn SCF(&mut self, sys: &System){ [INFO] [stdout] | ^^^ help: convert the identifier to snake case (notice the capitalization): `scf` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variable `DIIS` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:194:13 [INFO] [stdout] | [INFO] [stdout] 194 | let DIIS: bool = true; [INFO] [stdout] | ^^^^ help: convert the identifier to snake case: `diis` [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variable `old_P` should have a snake case name [INFO] [stdout] --> src/HartreeFock.rs:219:17 [INFO] [stdout] | [INFO] [stdout] 219 | let old_P: M = self.P.clone(); [INFO] [stdout] | ^^^^^ help: convert the identifier to snake case: `old_p` [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 0.22s [INFO] running `Command { std: "docker" "inspect" "a21f5e5c31014b4ead8d505007edaaefc6eacc222a03f0d9d0fa0b9834d3a476", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "a21f5e5c31014b4ead8d505007edaaefc6eacc222a03f0d9d0fa0b9834d3a476", kill_on_drop: false }` [INFO] [stdout] a21f5e5c31014b4ead8d505007edaaefc6eacc222a03f0d9d0fa0b9834d3a476 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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:aa71247004a7fa38d13ec170f48f06cdedf5bc50b2a8645e56ed7e992e6fa513" "/opt/rustwide/cargo-home/bin/cargo" "+bd7d74411512a3dd3b35d2f699c51dd2557c7e7e" "test" "--frozen" "-Zbuild-dir-new-layout", kill_on_drop: false }` [INFO] [stdout] c4a5eb002bf29d3f4242e4214be4d6e66df9091dc5cf8d25c8dd0404fe749e2d [INFO] running `Command { std: "docker" "start" "-a" "c4a5eb002bf29d3f4242e4214be4d6e66df9091dc5cf8d25c8dd0404fe749e2d", kill_on_drop: false }` [INFO] [stderr] warning: unnecessary parentheses around `return` value [INFO] [stderr] --> src/integrator.rs:191:12 [INFO] [stderr] | [INFO] [stderr] 191 | return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stderr] | ^ ^ [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(unused_parens)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] help: remove these parentheses [INFO] [stderr] | [INFO] [stderr] 191 - return (y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s); [INFO] [stderr] 191 + return y * (3.0-2.0*y*len_vec(&sub_vec(&e1.pos, &e2.pos)).powf(2.0)) * s ; [INFO] [stderr] | [INFO] [stderr] [INFO] [stderr] warning: unnecessary parentheses around `if` condition [INFO] [stderr] --> src/utils.rs:77:12 [INFO] [stderr] | [INFO] [stderr] 77 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stderr] | ^ ^ [INFO] [stderr] | [INFO] [stderr] help: remove these parentheses [INFO] [stderr] | [INFO] [stderr] 77 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stderr] 77 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stderr] | [INFO] [stderr] [INFO] [stderr] warning: unnecessary parentheses around `if` condition [INFO] [stderr] --> src/utils.rs:93:12 [INFO] [stderr] | [INFO] [stderr] 93 | if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stderr] | ^ ^ [INFO] [stderr] | [INFO] [stderr] help: remove these parentheses [INFO] [stderr] | [INFO] [stderr] 93 - if (m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len()){ [INFO] [stderr] 93 + if m1.m.len() != m2.m.len() || m1.m[0].len() != m2.m[0].len() { [INFO] [stderr] | [INFO] [stderr] [INFO] [stderr] warning: unused variable: `alpha` [INFO] [stderr] --> src/orb.rs:8:30 [INFO] [stderr] | [INFO] [stderr] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stderr] | ^^^^^ help: if this is intentional, prefix it with an underscore: `_alpha` [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(unused_variables)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: variable does not need to be mutable [INFO] [stderr] --> src/integrator.rs:239:9 [INFO] [stderr] | [INFO] [stderr] 239 | let mut pq = p+q; [INFO] [stderr] | ----^^ [INFO] [stderr] | | [INFO] [stderr] | help: remove this `mut` [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(unused_mut)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: unused variable: `DIIS` [INFO] [stderr] --> src/HartreeFock.rs:194:13 [INFO] [stderr] | [INFO] [stderr] 194 | let DIIS: bool = true; [INFO] [stderr] | ^^^^ help: if this is intentional, prefix it with an underscore: `_DIIS` [INFO] [stderr] [INFO] [stderr] warning: constant `e` is never used [INFO] [stderr] --> src/utils.rs:4:7 [INFO] [stderr] | [INFO] [stderr] 4 | const e: f64= std::f64::consts::E; [INFO] [stderr] | ^ [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(dead_code)]` (part of `#[warn(unused)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: method `test_calculation` is never used [INFO] [stderr] --> src/HartreeFock.rs:165:8 [INFO] [stderr] | [INFO] [stderr] 18 | impl HF { [INFO] [stderr] | ------- method in this implementation [INFO] [stderr] ... [INFO] [stderr] 165 | fn test_calculation(&self, sys: &System) { [INFO] [stderr] | ^^^^^^^^^^^^^^^^ [INFO] [stderr] [INFO] [stderr] warning: module `HartreeFock` should have a snake case name [INFO] [stderr] --> src/main.rs:6:9 [INFO] [stderr] | [INFO] [stderr] 6 | pub mod HartreeFock; [INFO] [stderr] | ^^^^^^^^^^^ help: convert the identifier to snake case: `hartree_fock` [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(non_snake_case)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: constant `e` should have an upper case name [INFO] [stderr] --> src/orb.rs:4:11 [INFO] [stderr] | [INFO] [stderr] 4 | pub const e: f64= std::f64::consts::E; [INFO] [stderr] | ^ help: convert the identifier to upper case: `E` [INFO] [stderr] | [INFO] [stderr] = note: `#[warn(non_upper_case_globals)]` (part of `#[warn(nonstandard_style)]`) on by default [INFO] [stderr] [INFO] [stderr] warning: function `H1S_rel` should have a snake case name [INFO] [stderr] --> src/orb.rs:8:8 [INFO] [stderr] | [INFO] [stderr] 8 | pub fn H1S_rel(c: &Vec, alpha: &Vec) -> f64 { [INFO] [stderr] | ^^^^^^^ help: convert the identifier to snake case: `h1_s_rel` [INFO] [stderr] [INFO] [stderr] warning: function `GTO` should have a snake case name [INFO] [stderr] --> src/orb.rs:12:8 [INFO] [stderr] | [INFO] [stderr] 12 | pub fn GTO(c: &Vec, alpha: &Vec) -> f64{ [INFO] [stderr] | ^^^ help: convert the identifier to snake case: `gto` [INFO] [stderr] [INFO] [stderr] warning: function `NORM_1S_GTO` should have a snake case name [INFO] [stderr] --> src/orb.rs:16:8 [INFO] [stderr] | [INFO] [stderr] 16 | pub fn NORM_1S_GTO(a: f64) -> f64{ [INFO] [stderr] | ^^^^^^^^^^^ help: convert the identifier to snake case: `norm_1_s_gto` [INFO] [stderr] [INFO] [stderr] warning: function `NORM_GTO` should have a snake case name [INFO] [stderr] --> src/orb.rs:20:8 [INFO] [stderr] | [INFO] [stderr] 20 | pub fn NORM_GTO(l: f64, m: f64, n: f64, a: f64) -> f64{ [INFO] [stderr] | ^^^^^^^^ help: convert the identifier to snake case: `norm_gto` [INFO] [stderr] [INFO] [stderr] warning: function `STO` should have a snake case name [INFO] [stderr] --> src/orb.rs:35:8 [INFO] [stderr] | [INFO] [stderr] 35 | pub fn STO(){} [INFO] [stderr] | ^^^ help: convert the identifier to snake case: `sto` [INFO] [stderr] [INFO] [stderr] warning: constant `e` should have an upper case name [INFO] [stderr] --> src/integrator.rs:6:11 [INFO] [stderr] | [INFO] [stderr] 6 | pub const e: f64= std::f64::consts::E; [INFO] [stderr] | ^ help: convert the identifier to upper case: `E` [INFO] [stderr] [INFO] [stderr] warning: constant `dx` should have an upper case name [INFO] [stderr] --> src/settings.rs:1:11 [INFO] [stderr] | [INFO] [stderr] 1 | pub const dx : f64 = 0.5; [INFO] [stderr] | ^^ help: convert the identifier to upper case: `DX` [INFO] [stderr] [INFO] [stderr] warning: constant `grid_dist` should have an upper case name [INFO] [stderr] --> src/settings.rs:2:11 [INFO] [stderr] | [INFO] [stderr] 2 | pub const grid_dist : f64 = 2.0; //volume to integrate [INFO] [stderr] | ^^^^^^^^^ help: convert the identifier to upper case: `GRID_DIST` [INFO] [stderr] [INFO] [stderr] warning: constant `int_b` should have an upper case name [INFO] [stderr] --> src/settings.rs:3:11 [INFO] [stderr] | [INFO] [stderr] 3 | pub const int_b : i32 = (grid_dist / dx) as i32; [INFO] [stderr] | ^^^^^ help: convert the identifier to upper case: `INT_B` [INFO] [stderr] [INFO] [stderr] warning: constant `dx_loss` should have an upper case name [INFO] [stderr] --> src/settings.rs:5:11 [INFO] [stderr] | [INFO] [stderr] 5 | pub const dx_loss : f64 = 0.8; [INFO] [stderr] | ^^^^^^^ help: convert the identifier to upper case: `DX_LOSS` [INFO] [stderr] [INFO] [stderr] warning: constant `gird_dist_loss` should have an upper case name [INFO] [stderr] --> src/settings.rs:6:11 [INFO] [stderr] | [INFO] [stderr] 6 | pub const gird_dist_loss : f64 = 2.0; [INFO] [stderr] | ^^^^^^^^^^^^^^ help: convert the identifier to upper case: `GIRD_DIST_LOSS` [INFO] [stderr] [INFO] [stderr] warning: constant `int_b_loss` should have an upper case name [INFO] [stderr] --> src/settings.rs:7:11 [INFO] [stderr] | [INFO] [stderr] 7 | pub const int_b_loss : i32 = (gird_dist_loss / dx_loss) as i32; [INFO] [stderr] | ^^^^^^^^^^ help: convert the identifier to upper case: `INT_B_LOSS` [INFO] [stderr] [INFO] [stderr] warning: constant `nuc_radius_cut_off` should have an upper case name [INFO] [stderr] --> src/settings.rs:9:11 [INFO] [stderr] | [INFO] [stderr] 9 | pub const nuc_radius_cut_off : f64 = 10e-10; [INFO] [stderr] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `NUC_RADIUS_CUT_OFF` [INFO] [stderr] [INFO] [stderr] warning: constant `orb_radius_cut_off` should have an upper case name [INFO] [stderr] --> src/settings.rs:10:11 [INFO] [stderr] | [INFO] [stderr] 10 | pub const orb_radius_cut_off : f64 = 10e-5; [INFO] [stderr] | ^^^^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_RADIUS_CUT_OFF` [INFO] [stderr] [INFO] [stderr] warning: constant `orb_val_cut_off` should have an upper case name [INFO] [stderr] --> src/settings.rs:12:11 [INFO] [stderr] | [INFO] [stderr] 12 | pub const orb_val_cut_off : f64 = 0.01; [INFO] [stderr] | ^^^^^^^^^^^^^^^ help: convert the identifier to upper case: `ORB_VAL_CUT_OFF` [INFO] [stderr] [INFO] [stderr] warning: constant `e` should have an upper case name [INFO] [stderr] --> src/utils.rs:4:7 [INFO] [stderr] | [INFO] [stderr] 4 | const e: f64= std::f64::consts::E; [INFO] [stderr] | ^ help: convert the identifier to upper case: `E` [INFO] [stderr] [INFO] [stderr] warning: structure field `S` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:10:9 [INFO] [stderr] | [INFO] [stderr] 10 | pub S: M, [INFO] [stderr] | ^ help: convert the identifier to snake case (notice the capitalization): `s` [INFO] [stderr] [INFO] [stderr] warning: structure field `Hcore` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:11:9 [INFO] [stderr] | [INFO] [stderr] 11 | pub Hcore: M, [INFO] [stderr] | ^^^^^ help: convert the identifier to snake case: `hcore` [INFO] [stderr] [INFO] [stderr] warning: structure field `P` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:12:9 [INFO] [stderr] | [INFO] [stderr] 12 | pub P: M, [INFO] [stderr] | ^ help: convert the identifier to snake case: `p` [INFO] [stderr] [INFO] [stderr] warning: structure field `F` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:13:9 [INFO] [stderr] | [INFO] [stderr] 13 | pub F: M, [INFO] [stderr] | ^ help: convert the identifier to snake case (notice the capitalization): `f` [INFO] [stderr] [INFO] [stderr] warning: structure field `C` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:14:9 [INFO] [stderr] | [INFO] [stderr] 14 | pub C: M, [INFO] [stderr] | ^ help: convert the identifier to snake case (notice the capitalization): `c` [INFO] [stderr] [INFO] [stderr] warning: method `calc_S` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:30:12 [INFO] [stderr] | [INFO] [stderr] 30 | pub fn calc_S(&mut self, sys: &System){ [INFO] [stderr] | ^^^^^^ help: convert the identifier to snake case (notice the capitalization): `calc_s` [INFO] [stderr] [INFO] [stderr] warning: method `calc_Hore` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:45:12 [INFO] [stderr] | [INFO] [stderr] 45 | pub fn calc_Hore(&mut self, sys: &System){ [INFO] [stderr] | ^^^^^^^^^ help: convert the identifier to snake case: `calc_hore` [INFO] [stderr] [INFO] [stderr] warning: method `clac_Fock` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:77:12 [INFO] [stderr] | [INFO] [stderr] 77 | pub fn clac_Fock(&mut self, sys: &System){ [INFO] [stderr] | ^^^^^^^^^ help: convert the identifier to snake case (notice the capitalization): `clac_fock` [INFO] [stderr] [INFO] [stderr] warning: method `Roothaan_Haal` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:111:12 [INFO] [stderr] | [INFO] [stderr] 111 | pub fn Roothaan_Haal(&mut self, sys: &System) -> (DMatrix, DVector){ [INFO] [stderr] | ^^^^^^^^^^^^^ help: convert the identifier to snake case: `roothaan_haal` [INFO] [stderr] [INFO] [stderr] warning: method `sort_MOs` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:142:8 [INFO] [stderr] | [INFO] [stderr] 142 | fn sort_MOs(c: &mut DMatrix, e: &mut DVector) { [INFO] [stderr] | ^^^^^^^^ help: convert the identifier to snake case: `sort_mos` [INFO] [stderr] [INFO] [stderr] warning: method `get_tot_E` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:178:8 [INFO] [stderr] | [INFO] [stderr] 178 | fn get_tot_E(&self, sys: &System) -> f64{ [INFO] [stderr] | ^^^^^^^^^ help: convert the identifier to snake case: `get_tot_e` [INFO] [stderr] [INFO] [stderr] warning: method `SCF` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:191:12 [INFO] [stderr] | [INFO] [stderr] 191 | pub fn SCF(&mut self, sys: &System){ [INFO] [stderr] | ^^^ help: convert the identifier to snake case (notice the capitalization): `scf` [INFO] [stderr] [INFO] [stderr] warning: variable `DIIS` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:194:13 [INFO] [stderr] | [INFO] [stderr] 194 | let DIIS: bool = true; [INFO] [stderr] | ^^^^ help: convert the identifier to snake case: `diis` [INFO] [stderr] [INFO] [stderr] warning: variable `old_P` should have a snake case name [INFO] [stderr] --> src/HartreeFock.rs:219:17 [INFO] [stderr] | [INFO] [stderr] 219 | let old_P: M = self.P.clone(); [INFO] [stderr] | ^^^^^ help: convert the identifier to snake case: `old_p` [INFO] [stderr] [INFO] [stderr] warning: `HF` (bin "HF" test) generated 40 warnings (run `cargo fix --bin "HF" -p HF --tests` to apply 7 suggestions) [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 0.03s [INFO] [stderr] Running unittests src/main.rs (/opt/rustwide/target/debug/build/HF/5dca6eabe686681d/deps/HF-5dca6eabe686681d) [INFO] [stdout] [INFO] [stdout] running 0 tests [INFO] [stdout] [INFO] [stdout] test result: ok. 0 passed; 0 failed; 0 ignored; 0 measured; 0 filtered out; finished in 0.00s [INFO] [stdout] [INFO] running `Command { std: "docker" "inspect" "c4a5eb002bf29d3f4242e4214be4d6e66df9091dc5cf8d25c8dd0404fe749e2d", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "c4a5eb002bf29d3f4242e4214be4d6e66df9091dc5cf8d25c8dd0404fe749e2d", kill_on_drop: false }` [INFO] [stdout] c4a5eb002bf29d3f4242e4214be4d6e66df9091dc5cf8d25c8dd0404fe749e2d