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[INFO] checking MartinRJDagleish/MolElec-RS against nightly-2024-02-05 for check-cfg
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[INFO] finished tweaking git repo https://github.com/MartinRJDagleish/MolElec-RS
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[INFO] [stdout] warning: unused import: `std::default`
[INFO] [stdout]   --> src/calc_type/mod.rs:12:5
[INFO] [stdout]    |
[INFO] [stdout] 12 | use std::default;
[INFO] [stdout]    |     ^^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_imports)]` 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] 
[INFO] [stdout] warning: unused imports: `RHF`, `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: unused import: `std::default`
[INFO] [stdout]   --> src/calc_type/mod.rs:12:5
[INFO] [stdout]    |
[INFO] [stdout] 12 | use std::default;
[INFO] [stdout]    |     ^^^^^^^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `#[warn(unused_imports)]` 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] 
[INFO] [stdout] warning: unused imports: `RHF`, `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: multiple variants are never constructed
[INFO] [stdout]   --> src/basisset/mod.rs:19:5
[INFO] [stdout]    |
[INFO] [stdout] 11 | enum GaussBasisSetVars {
[INFO] [stdout]    |      ----------------- variants in this enum
[INFO] [stdout] ...
[INFO] [stdout] 19 |     cc_pVDZ,
[INFO] [stdout]    |     ^^^^^^^
[INFO] [stdout] 20 |     cc_pVTZ,
[INFO] [stdout]    |     ^^^^^^^
[INFO] [stdout] 21 |     def2_SVP,
[INFO] [stdout]    |     ^^^^^^^^
[INFO] [stdout] 22 |     def2_TZVP,
[INFO] [stdout]    |     ^^^^^^^^^
[INFO] [stdout] 23 |     def2_TZVPP,
[INFO] [stdout]    |     ^^^^^^^^^^
[INFO] [stdout] 24 |     STO_3G,
[INFO] [stdout]    |     ^^^^^^
[INFO] [stdout] 25 |     STO_6G,
[INFO] [stdout]    |     ^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `GaussBasisSetVars` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis
[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<CGTO<'a>>, // == 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<PGTO>,
[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:24:5
[INFO] [stdout]    |
[INFO] [stdout] 22 | pub(crate) enum HF_Ref {
[INFO] [stdout]    |                 ------ variant in this enum
[INFO] [stdout] 23 |     UHF_ref,
[INFO] [stdout] 24 |     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: 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<f64> {
[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<f64> {
[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 `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:497:8
[INFO] [stdout]     |
[INFO] [stdout] 239 | impl RHF {
[INFO] [stdout]     | -------- associated function in this implementation
[INFO] [stdout] ...
[INFO] [stdout] 497 |     fn calc_rms_2_matr(matr1: &Array2<f64>, matr2: &Array2<f64>) -> 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:660:4
[INFO] [stdout]     |
[INFO] [stdout] 660 | 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<f64> {
[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: multiple variants are never constructed
[INFO] [stdout]   --> src/basisset/mod.rs:19:5
[INFO] [stdout]    |
[INFO] [stdout] 11 | enum GaussBasisSetVars {
[INFO] [stdout]    |      ----------------- variants in this enum
[INFO] [stdout] ...
[INFO] [stdout] 19 |     cc_pVDZ,
[INFO] [stdout]    |     ^^^^^^^
[INFO] [stdout] 20 |     cc_pVTZ,
[INFO] [stdout]    |     ^^^^^^^
[INFO] [stdout] 21 |     def2_SVP,
[INFO] [stdout]    |     ^^^^^^^^
[INFO] [stdout] 22 |     def2_TZVP,
[INFO] [stdout]    |     ^^^^^^^^^
[INFO] [stdout] 23 |     def2_TZVPP,
[INFO] [stdout]    |     ^^^^^^^^^^
[INFO] [stdout] 24 |     STO_3G,
[INFO] [stdout]    |     ^^^^^^
[INFO] [stdout] 25 |     STO_6G,
[INFO] [stdout]    |     ^^^^^^
[INFO] [stdout]    |
[INFO] [stdout]    = note: `GaussBasisSetVars` has a derived impl for the trait `Debug`, but this is intentionally ignored during dead code analysis
[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<PGTO>,
[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:24:5
[INFO] [stdout]    |
[INFO] [stdout] 22 | pub(crate) enum HF_Ref {
[INFO] [stdout]    |                 ------ variant in this enum
[INFO] [stdout] 23 |     UHF_ref,
[INFO] [stdout] 24 |     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 `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 `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:497:8
[INFO] [stdout]     |
[INFO] [stdout] 239 | impl RHF {
[INFO] [stdout]     | -------- associated function in this implementation
[INFO] [stdout] ...
[INFO] [stdout] 497 |     fn calc_rms_2_matr(matr1: &Array2<f64>, matr2: &Array2<f64>) -> 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:660:4
[INFO] [stdout]     |
[INFO] [stdout] 660 | 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 [unoptimized + debuginfo] target(s) in 9.89s
[INFO] running `Command { std: "docker" "inspect" "3db50dfb2fe444969adf52a60e0cd75178b13777051e96677f46351858bfec1a", kill_on_drop: false }`
[INFO] running `Command { std: "docker" "rm" "-f" "3db50dfb2fe444969adf52a60e0cd75178b13777051e96677f46351858bfec1a", kill_on_drop: false }`
[INFO] [stdout] 3db50dfb2fe444969adf52a60e0cd75178b13777051e96677f46351858bfec1a
