[INFO] cloning repository https://github.com/MartinRJDagleish/MolElec-RS [INFO] running `Command { std: "git" "-c" "credential.helper=" "-c" "credential.helper=/workspace/cargo-home/bin/git-credential-null" "clone" "--bare" "https://github.com/MartinRJDagleish/MolElec-RS" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FMartinRJDagleish%2FMolElec-RS", kill_on_drop: false }` [INFO] [stderr] Cloning into bare repository '/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FMartinRJDagleish%2FMolElec-RS'... [INFO] running `Command { std: "git" "rev-parse" "HEAD", kill_on_drop: false }` [INFO] [stdout] f7d96b174d6559ad974c6f91d727092ba4fce1a0 [INFO] checking MartinRJDagleish/MolElec-RS/f7d96b174d6559ad974c6f91d727092ba4fce1a0 against master#ab869e094a907cc5d19b4080f22eccaf347f1f95 for pr-129604 [INFO] running `Command { std: "git" "clone" "/workspace/cache/git-repos/https%3A%2F%2Fgithub.com%2FMartinRJDagleish%2FMolElec-RS" "/workspace/builds/worker-0-tc1/source", kill_on_drop: false }` [INFO] [stderr] Cloning into '/workspace/builds/worker-0-tc1/source'... [INFO] [stderr] done. [INFO] validating manifest of git repo https://github.com/MartinRJDagleish/MolElec-RS on toolchain ab869e094a907cc5d19b4080f22eccaf347f1f95 [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+ab869e094a907cc5d19b4080f22eccaf347f1f95" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }` [INFO] started tweaking git repo https://github.com/MartinRJDagleish/MolElec-RS [INFO] finished tweaking git repo https://github.com/MartinRJDagleish/MolElec-RS [INFO] tweaked toml for git repo https://github.com/MartinRJDagleish/MolElec-RS written to /workspace/builds/worker-0-tc1/source/Cargo.toml [INFO] crate git repo https://github.com/MartinRJDagleish/MolElec-RS 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" "+ab869e094a907cc5d19b4080f22eccaf347f1f95" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] [stderr] warning: unused manifest key: build [INFO] [stderr] Updating crates.io index [INFO] [stderr] Downloading crates ... [INFO] [stderr] Downloaded openblas-build v0.10.8 [INFO] [stderr] Downloaded blas-src v0.10.0 [INFO] [stderr] Downloaded ndarray_einsum_beta v0.7.0 [INFO] [stderr] Downloaded openblas-src v0.10.8 [INFO] [stderr] Downloaded physical_constants v0.5.0 [INFO] [stderr] Downloaded ureq v2.9.0 [INFO] [stderr] Downloaded boys v0.1.0 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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@sha256:923055f121b5182466d55868a8b05e67af8ba4a3a3f6bad814e953ca3cd3ac2a" "/opt/rustwide/cargo-home/bin/cargo" "+ab869e094a907cc5d19b4080f22eccaf347f1f95" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] a397f641ef657f2f745d034e63da05bc0971dd9c49990d8197310ba93adc1f23 [INFO] running `Command { std: "docker" "start" "-a" "a397f641ef657f2f745d034e63da05bc0971dd9c49990d8197310ba93adc1f23", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "a397f641ef657f2f745d034e63da05bc0971dd9c49990d8197310ba93adc1f23", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "a397f641ef657f2f745d034e63da05bc0971dd9c49990d8197310ba93adc1f23", kill_on_drop: false }` [INFO] [stdout] a397f641ef657f2f745d034e63da05bc0971dd9c49990d8197310ba93adc1f23 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-tc1/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-0-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@sha256:923055f121b5182466d55868a8b05e67af8ba4a3a3f6bad814e953ca3cd3ac2a" "/opt/rustwide/cargo-home/bin/cargo" "+ab869e094a907cc5d19b4080f22eccaf347f1f95" "check" "--frozen" "--all" "--all-targets" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] 4cc8608b1a5ad6a4e7df8b5df86731b60c97fbc3e4e7c45e871254aa4c2f2ce4 [INFO] running `Command { std: "docker" "start" "-a" "4cc8608b1a5ad6a4e7df8b5df86731b60c97fbc3e4e7c45e871254aa4c2f2ce4", kill_on_drop: false }` [INFO] [stderr] warning: unused manifest key: build [INFO] [stderr] Compiling libc v0.2.150 [INFO] [stderr] Compiling proc-macro2 v1.0.69 [INFO] [stderr] Compiling pkg-config v0.3.27 [INFO] [stderr] Compiling vcpkg v0.2.15 [INFO] [stderr] Compiling cfg-if v1.0.0 [INFO] [stderr] Compiling tinyvec_macros v0.1.1 [INFO] [stderr] Compiling num-traits v0.2.17 [INFO] [stderr] Compiling crc32fast v1.3.2 [INFO] [stderr] Compiling tinyvec v1.6.0 [INFO] [stderr] Compiling foreign-types-shared v0.1.1 [INFO] [stderr] Compiling openssl v0.10.59 [INFO] [stderr] Compiling memchr v2.3.4 [INFO] [stderr] Compiling foreign-types v0.3.2 [INFO] [stderr] Compiling unicode-bidi v0.3.13 [INFO] [stderr] Compiling native-tls v0.2.11 [INFO] [stderr] Compiling thiserror v1.0.50 [INFO] [stderr] Compiling quote v1.0.33 [INFO] [stderr] Compiling bitflags v2.4.1 [INFO] [stderr] Compiling adler v1.0.2 [INFO] [stderr] Compiling openssl-probe v0.1.5 [INFO] [stderr] Compiling percent-encoding v2.3.0 [INFO] [stderr] Compiling once_cell v1.18.0 [INFO] [stderr] Compiling syn v2.0.39 [INFO] [stderr] Compiling base64 v0.21.5 [INFO] [stderr] Compiling cc v1.0.83 [INFO] [stderr] Compiling form_urlencoded v1.2.0 [INFO] [stderr] Compiling miniz_oxide v0.7.1 [INFO] [stderr] Checking getrandom v0.2.11 [INFO] [stderr] Compiling unicode-normalization v0.1.22 [INFO] [stderr] Compiling rustls-pemfile v1.0.4 [INFO] [stderr] Compiling memoffset v0.9.0 [INFO] [stderr] Compiling log v0.4.20 [INFO] [stderr] Compiling anyhow v1.0.75 [INFO] [stderr] Compiling crossbeam-utils v0.8.17 [INFO] [stderr] Compiling rustls-native-certs v0.6.3 [INFO] [stderr] Compiling flate2 v1.0.28 [INFO] [stderr] Checking rand_core v0.6.4 [INFO] [stderr] Compiling xattr v1.0.1 [INFO] [stderr] Compiling filetime v0.2.22 [INFO] [stderr] Compiling serde v1.0.193 [INFO] [stderr] Compiling same-file v1.0.6 [INFO] [stderr] Compiling idna v0.4.0 [INFO] [stderr] Checking rand_chacha v0.3.1 [INFO] [stderr] Compiling walkdir v2.4.0 [INFO] [stderr] Compiling tar v0.4.40 [INFO] [stderr] Compiling dirs-sys v0.3.7 [INFO] [stderr] Compiling url v2.4.1 [INFO] [stderr] Compiling syn v1.0.109 [INFO] [stderr] Checking crossbeam-epoch v0.9.16 [INFO] [stderr] Compiling dirs v3.0.2 [INFO] [stderr] Checking rand v0.8.5 [INFO] [stderr] Compiling rayon-core v1.12.1 [INFO] [stderr] Compiling openssl-sys v0.9.95 [INFO] [stderr] Checking crossbeam-deque v0.8.4 [INFO] [stderr] Compiling num-integer v0.1.45 [INFO] [stderr] Compiling matrixmultiply v0.3.8 [INFO] [stderr] Compiling aho-corasick v0.7.15 [INFO] [stderr] Compiling GSL-sys v3.0.0 [INFO] [stderr] Checking either v1.9.0 [INFO] [stderr] Compiling regex-syntax v0.6.29 [INFO] [stderr] Compiling paste v1.0.14 [INFO] [stderr] Checking rawpointer v0.2.1 [INFO] [stderr] Checking rayon v1.8.1 [INFO] [stderr] Checking approx v0.4.0 [INFO] [stderr] Checking approx v0.5.1 [INFO] [stderr] Checking cblas-sys v0.1.4 [INFO] [stderr] Compiling rustversion v1.0.14 [INFO] [stderr] Compiling proc-macro-error-attr v1.0.4 [INFO] [stderr] Checking num-complex v0.4.4 [INFO] [stderr] Checking lapack-sys v0.14.0 [INFO] [stderr] Compiling regex v1.4.6 [INFO] [stderr] Checking cauchy v0.4.0 [INFO] [stderr] Checking ndarray v0.15.6 [INFO] [stderr] Checking GSL v6.0.0 [INFO] [stderr] Compiling proc-macro-error v1.0.4 [INFO] [stderr] Compiling heck v0.4.1 [INFO] [stderr] Checking strum v0.26.1 [INFO] [stderr] Compiling openssl-macros v0.1.1 [INFO] [stderr] Compiling thiserror-impl v1.0.50 [INFO] [stderr] Compiling strum_macros v0.26.1 [INFO] [stderr] Compiling katexit v0.1.4 [INFO] [stderr] Checking boys v0.1.0 [INFO] [stderr] Compiling physical_constants v0.5.0 [INFO] [stderr] Compiling getset v0.1.2 [INFO] [stderr] Checking ndarray_einsum_beta v0.7.0 [INFO] [stderr] Compiling ureq v2.9.0 [INFO] [stderr] Compiling openblas-build v0.10.8 [INFO] [stderr] Compiling openblas-src v0.10.8 [INFO] [stderr] Checking lax v0.16.0 [INFO] [stderr] Checking blas-src v0.10.0 [INFO] [stderr] Checking ndarray-linalg v0.16.0 [INFO] [stderr] Checking MolElecRS v0.1.0 (/opt/rustwide/workdir) [INFO] [stdout] warning: unused import: `InverseH` [INFO] [stdout] --> src/calc_type/rhf.rs:14:28 [INFO] [stdout] | [INFO] [stdout] 14 | use ndarray_linalg::{Eigh, InverseH, UPLO}; [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_imports)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused imports: `RHF` and `calc_schwarz_est_int` [INFO] [stdout] --> src/calc_type/uhf.rs:5:31 [INFO] [stdout] | [INFO] [stdout] 5 | rhf::{matr_inv_ssqrt, RHF}, [INFO] [stdout] | ^^^ [INFO] [stdout] ... [INFO] [stdout] 10 | te_int::{calc_ERI_int_cgto, calc_schwarz_est_int, calc_schwarz_est_int_inp}, [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused doc comment [INFO] [stdout] --> src/calc_type/uhf.rs:138:17 [INFO] [stdout] | [INFO] [stdout] 138 | /// Direct or Indirect SCF [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] 139 | / match self.hf_matrs.eri_opt { [INFO] [stdout] 140 | | // Indirect SCF [INFO] [stdout] 141 | | Some(ref eri) => { [INFO] [stdout] 142 | | calc_new_F_matr_ind_scf_uhf( [INFO] [stdout] ... | [INFO] [stdout] 162 | | } [INFO] [stdout] 163 | | } [INFO] [stdout] | |_________________- rustdoc does not generate documentation for expressions [INFO] [stdout] | [INFO] [stdout] = help: use `//` for a plain comment [INFO] [stdout] = note: `#[warn(unused_doc_comments)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused import: `InverseH` [INFO] [stdout] --> src/calc_type/rhf.rs:14:28 [INFO] [stdout] | [INFO] [stdout] 14 | use ndarray_linalg::{Eigh, InverseH, UPLO}; [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(unused_imports)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused imports: `RHF` and `calc_schwarz_est_int` [INFO] [stdout] --> src/calc_type/uhf.rs:5:31 [INFO] [stdout] | [INFO] [stdout] 5 | rhf::{matr_inv_ssqrt, RHF}, [INFO] [stdout] | ^^^ [INFO] [stdout] ... [INFO] [stdout] 10 | te_int::{calc_ERI_int_cgto, calc_schwarz_est_int, calc_schwarz_est_int_inp}, [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused doc comment [INFO] [stdout] --> src/calc_type/uhf.rs:138:17 [INFO] [stdout] | [INFO] [stdout] 138 | /// Direct or Indirect SCF [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] 139 | / match self.hf_matrs.eri_opt { [INFO] [stdout] 140 | | // Indirect SCF [INFO] [stdout] 141 | | Some(ref eri) => { [INFO] [stdout] 142 | | calc_new_F_matr_ind_scf_uhf( [INFO] [stdout] ... | [INFO] [stdout] 162 | | } [INFO] [stdout] 163 | | } [INFO] [stdout] | |_________________- rustdoc does not generate documentation for expressions [INFO] [stdout] | [INFO] [stdout] = help: use `//` for a plain comment [INFO] [stdout] = note: `#[warn(unused_doc_comments)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: unused import: `strum::IntoEnumIterator` [INFO] [stdout] --> src/molecule/cartesian_comp.rs:2:5 [INFO] [stdout] | [INFO] [stdout] 2 | use strum::IntoEnumIterator; [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: enum `GaussBasisSetVars` is never used [INFO] [stdout] --> src/basisset/mod.rs:11:6 [INFO] [stdout] | [INFO] [stdout] 11 | enum GaussBasisSetVars { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `name`, `use_pure_am`, and `no_ao` are never read [INFO] [stdout] --> src/basisset/mod.rs:40:5 [INFO] [stdout] | [INFO] [stdout] 39 | pub(crate) struct BasisSet<'a> { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 40 | name: String, [INFO] [stdout] | ^^^^ [INFO] [stdout] 41 | use_pure_am: bool, [INFO] [stdout] | ^^^^^^^^^^^ [INFO] [stdout] 42 | #[getset(get_copy = "pub")] [INFO] [stdout] 43 | no_ao: usize, [INFO] [stdout] | ^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `BasisSet` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `is_pure_am`, `ang_mom_type`, and `center_pos` are never read [INFO] [stdout] --> src/basisset/mod.rs:54:5 [INFO] [stdout] | [INFO] [stdout] 53 | pub struct Shell<'a> { [INFO] [stdout] | ----- fields in this struct [INFO] [stdout] 54 | is_pure_am: bool, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] 55 | cgtos: Vec>, // == basis funcs. [INFO] [stdout] 56 | ang_mom_type: AngMomChar, [INFO] [stdout] | ^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 59 | center_pos: &'a Atom, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `Shell` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `no_pgtos` is never read [INFO] [stdout] --> src/basisset/mod.rs:66:5 [INFO] [stdout] | [INFO] [stdout] 64 | pub struct CGTO<'a> { [INFO] [stdout] | ---- field in this struct [INFO] [stdout] 65 | pgto_vec: Vec, [INFO] [stdout] 66 | no_pgtos: usize, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `CGTO` has derived impls for the traits `Debug` and `Clone`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `basis_set_name` is never read [INFO] [stdout] --> src/basisset/parser.rs:55:5 [INFO] [stdout] | [INFO] [stdout] 54 | pub struct BasisSetDefTotal { [INFO] [stdout] | ---------------- field in this struct [INFO] [stdout] 55 | basis_set_name: String, [INFO] [stdout] | ^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `BasisSetDefTotal` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variant `ROHF_ref` is never constructed [INFO] [stdout] --> src/calc_type/mod.rs:25:5 [INFO] [stdout] | [INFO] [stdout] 23 | pub(crate) enum HF_Ref { [INFO] [stdout] | ------ variant in this enum [INFO] [stdout] 24 | UHF_ref, [INFO] [stdout] 25 | ROHF_ref, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `HF_Ref` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `diis_settings` is never read [INFO] [stdout] --> src/calc_type/mod.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 235 | pub struct DIIS { [INFO] [stdout] | ---- field in this struct [INFO] [stdout] 236 | // Better approach [INFO] [stdout] 237 | pub diis_settings: DiisSettings, [INFO] [stdout] | ^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `DIIS` has derived impls for the traits `Clone` and `Debug`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `compute_sad_guess` is never used [INFO] [stdout] --> src/calc_type/guess.rs:11:12 [INFO] [stdout] | [INFO] [stdout] 11 | pub fn compute_sad_guess(mol: &Molecule) -> Array2 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `sad_calc_num_ao` is never used [INFO] [stdout] --> src/calc_type/guess.rs:38:14 [INFO] [stdout] | [INFO] [stdout] 38 | const fn sad_calc_num_ao(z_val: u32) -> u32 { [INFO] [stdout] | ^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `calc_occup_vec` is never used [INFO] [stdout] --> src/calc_type/guess.rs:96:8 [INFO] [stdout] | [INFO] [stdout] 96 | fn calc_occup_vec(z_val: u32) -> Vec { [INFO] [stdout] | ^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `calc_subsh_occup_vec` is never used [INFO] [stdout] --> src/calc_type/guess.rs:185:8 [INFO] [stdout] | [INFO] [stdout] 185 | fn calc_subsh_occup_vec(occvec: &mut [f64], no_elec: &mut usize) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `E_tot_prev` is never read [INFO] [stdout] --> src/calc_type/rhf.rs:24:5 [INFO] [stdout] | [INFO] [stdout] 17 | pub(crate) struct RHF { [INFO] [stdout] | --- field in this struct [INFO] [stdout] ... [INFO] [stdout] 24 | E_tot_prev: f64, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `RHF` has derived impls for the traits `Default`, `Clone`, and `Debug`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: associated function `calc_rms_2_matr` is never used [INFO] [stdout] --> src/calc_type/rhf.rs:496:8 [INFO] [stdout] | [INFO] [stdout] 238 | impl RHF { [INFO] [stdout] | -------- associated function in this implementation [INFO] [stdout] ... [INFO] [stdout] 496 | fn calc_rms_2_matr(matr1: &Array2, matr2: &Array2) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `E_tot_prev` is never read [INFO] [stdout] --> src/calc_type/uhf.rs:26:5 [INFO] [stdout] | [INFO] [stdout] 19 | pub(crate) struct UHF { [INFO] [stdout] | --- field in this struct [INFO] [stdout] ... [INFO] [stdout] 26 | E_tot_prev: f64, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `init_diag_F_matr` is never used [INFO] [stdout] --> src/calc_type/uhf.rs:667:4 [INFO] [stdout] | [INFO] [stdout] 667 | fn init_diag_F_matr( [INFO] [stdout] | ^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `tot_charge` and `tot_mass` are never read [INFO] [stdout] --> src/molecule/mod.rs:174:5 [INFO] [stdout] | [INFO] [stdout] 173 | pub struct Molecule { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 174 | tot_charge: i32, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] 175 | tot_mass: f64, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `Molecule` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: associated items `calc_core_potential_der`, `calc_centre_of_mass`, `other_two_idx`, `calc_inertia_matr`, and `mol_reorient_to_princ_ax_of_inertia` are never used [INFO] [stdout] --> src/molecule/mod.rs:322:8 [INFO] [stdout] | [INFO] [stdout] 201 | impl Molecule { [INFO] [stdout] | ------------- associated items in this implementation [INFO] [stdout] ... [INFO] [stdout] 322 | fn calc_core_potential_der(&self, deriv_atom: &Atom, cc: Cartesian) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 340 | fn calc_centre_of_mass(&self) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 352 | fn other_two_idx(inp: usize) -> (usize, usize) { [INFO] [stdout] | ^^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 361 | fn calc_inertia_matr(&self) -> Array2 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 378 | fn mol_reorient_to_princ_ax_of_inertia(&mut self) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_norm_dist_vec` is never used [INFO] [stdout] --> src/molecule/atom.rs:48:12 [INFO] [stdout] | [INFO] [stdout] 27 | impl Atom { [INFO] [stdout] | --------- method in this implementation [INFO] [stdout] ... [INFO] [stdout] 48 | pub fn calc_norm_dist_vec(&self, other: &Atom) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: 22 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: enum `GaussBasisSetVars` is never used [INFO] [stdout] --> src/basisset/mod.rs:11:6 [INFO] [stdout] | [INFO] [stdout] 11 | enum GaussBasisSetVars { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `#[warn(dead_code)]` on by default [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `name`, `use_pure_am`, and `no_ao` are never read [INFO] [stdout] --> src/basisset/mod.rs:40:5 [INFO] [stdout] | [INFO] [stdout] 39 | pub(crate) struct BasisSet<'a> { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 40 | name: String, [INFO] [stdout] | ^^^^ [INFO] [stdout] 41 | use_pure_am: bool, [INFO] [stdout] | ^^^^^^^^^^^ [INFO] [stdout] 42 | #[getset(get_copy = "pub")] [INFO] [stdout] 43 | no_ao: usize, [INFO] [stdout] | ^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `BasisSet` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `is_pure_am` and `center_pos` are never read [INFO] [stdout] --> src/basisset/mod.rs:54:5 [INFO] [stdout] | [INFO] [stdout] 53 | pub struct Shell<'a> { [INFO] [stdout] | ----- fields in this struct [INFO] [stdout] 54 | is_pure_am: bool, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 59 | center_pos: &'a Atom, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `Shell` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `no_pgtos` is never read [INFO] [stdout] --> src/basisset/mod.rs:66:5 [INFO] [stdout] | [INFO] [stdout] 64 | pub struct CGTO<'a> { [INFO] [stdout] | ---- field in this struct [INFO] [stdout] 65 | pgto_vec: Vec, [INFO] [stdout] 66 | no_pgtos: usize, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `CGTO` has derived impls for the traits `Debug` and `Clone`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `basis_set_name` is never read [INFO] [stdout] --> src/basisset/parser.rs:55:5 [INFO] [stdout] | [INFO] [stdout] 54 | pub struct BasisSetDefTotal { [INFO] [stdout] | ---------------- field in this struct [INFO] [stdout] 55 | basis_set_name: String, [INFO] [stdout] | ^^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `BasisSetDefTotal` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: variant `ROHF_ref` is never constructed [INFO] [stdout] --> src/calc_type/mod.rs:25:5 [INFO] [stdout] | [INFO] [stdout] 23 | pub(crate) enum HF_Ref { [INFO] [stdout] | ------ variant in this enum [INFO] [stdout] 24 | UHF_ref, [INFO] [stdout] 25 | ROHF_ref, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `HF_Ref` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `diis_settings` is never read [INFO] [stdout] --> src/calc_type/mod.rs:237:9 [INFO] [stdout] | [INFO] [stdout] 235 | pub struct DIIS { [INFO] [stdout] | ---- field in this struct [INFO] [stdout] 236 | // Better approach [INFO] [stdout] 237 | pub diis_settings: DiisSettings, [INFO] [stdout] | ^^^^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `DIIS` has derived impls for the traits `Clone` and `Debug`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `E_tot_prev` is never read [INFO] [stdout] --> src/calc_type/rhf.rs:24:5 [INFO] [stdout] | [INFO] [stdout] 17 | pub(crate) struct RHF { [INFO] [stdout] | --- field in this struct [INFO] [stdout] ... [INFO] [stdout] 24 | E_tot_prev: f64, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `RHF` has derived impls for the traits `Default`, `Clone`, and `Debug`, but these are intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: associated function `calc_rms_2_matr` is never used [INFO] [stdout] --> src/calc_type/rhf.rs:496:8 [INFO] [stdout] | [INFO] [stdout] 238 | impl RHF { [INFO] [stdout] | -------- associated function in this implementation [INFO] [stdout] ... [INFO] [stdout] 496 | fn calc_rms_2_matr(matr1: &Array2, matr2: &Array2) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: field `E_tot_prev` is never read [INFO] [stdout] --> src/calc_type/uhf.rs:26:5 [INFO] [stdout] | [INFO] [stdout] 19 | pub(crate) struct UHF { [INFO] [stdout] | --- field in this struct [INFO] [stdout] ... [INFO] [stdout] 26 | E_tot_prev: f64, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: function `init_diag_F_matr` is never used [INFO] [stdout] --> src/calc_type/uhf.rs:667:4 [INFO] [stdout] | [INFO] [stdout] 667 | fn init_diag_F_matr( [INFO] [stdout] | ^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: fields `tot_charge` and `tot_mass` are never read [INFO] [stdout] --> src/molecule/mod.rs:174:5 [INFO] [stdout] | [INFO] [stdout] 173 | pub struct Molecule { [INFO] [stdout] | -------- fields in this struct [INFO] [stdout] 174 | tot_charge: i32, [INFO] [stdout] | ^^^^^^^^^^ [INFO] [stdout] 175 | tot_mass: f64, [INFO] [stdout] | ^^^^^^^^ [INFO] [stdout] | [INFO] [stdout] = note: `Molecule` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: methods `calc_core_potential_der` and `calc_centre_of_mass` are never used [INFO] [stdout] --> src/molecule/mod.rs:322:8 [INFO] [stdout] | [INFO] [stdout] 201 | impl Molecule { [INFO] [stdout] | ------------- methods in this implementation [INFO] [stdout] ... [INFO] [stdout] 322 | fn calc_core_potential_der(&self, deriv_atom: &Atom, cc: Cartesian) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] ... [INFO] [stdout] 340 | fn calc_centre_of_mass(&self) { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: method `calc_norm_dist_vec` is never used [INFO] [stdout] --> src/molecule/atom.rs:48:12 [INFO] [stdout] | [INFO] [stdout] 27 | impl Atom { [INFO] [stdout] | --------- method in this implementation [INFO] [stdout] ... [INFO] [stdout] 48 | pub fn calc_norm_dist_vec(&self, other: &Atom) -> f64 { [INFO] [stdout] | ^^^^^^^^^^^^^^^^^^ [INFO] [stdout] [INFO] [stdout] [INFO] [stdout] warning: 17 warnings emitted [INFO] [stdout] [INFO] [stdout] [INFO] [stderr] Finished `dev` profile [unoptimized + debuginfo] target(s) in 29.79s [INFO] running `Command { std: "docker" "inspect" "4cc8608b1a5ad6a4e7df8b5df86731b60c97fbc3e4e7c45e871254aa4c2f2ce4", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "4cc8608b1a5ad6a4e7df8b5df86731b60c97fbc3e4e7c45e871254aa4c2f2ce4", kill_on_drop: false }` [INFO] [stdout] 4cc8608b1a5ad6a4e7df8b5df86731b60c97fbc3e4e7c45e871254aa4c2f2ce4