Added more basis sets and found weird bug for larger basis sets #31
MartinRJDagleishAnnotations
2 errors and 15 warnings
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Rust project
linking with `cc` failed: exit status: 1
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Rust project
The process '/home/runner/.cargo/bin/cargo' failed with exit code 101
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Rust project
The following actions uses node12 which is deprecated and will be forced to run on node16: actions/checkout@v2, actions-rs/toolchain@v1, actions-rs/cargo@v1. For more info: https://github.blog/changelog/2023-06-13-github-actions-all-actions-will-run-on-node16-instead-of-node12-by-default/
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Rust project:
src/molecule/cartesian_comp.rs#L2
unused import: `strum::IntoEnumIterator`
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Rust project:
src/main.rs#L16
unused import: `uhf::uhf_scf_normal`
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Rust project:
src/basisset/mod.rs#L19
multiple variants are never constructed
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Rust project:
src/basisset/mod.rs#L40
fields `name`, `use_pure_am`, and `no_ao` are never read
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Rust project:
src/basisset/mod.rs#L54
fields `is_pure_am`, `ang_mom_type`, and `center_pos` are never read
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Rust project:
src/basisset/mod.rs#L66
field `no_pgtos` is never read
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Rust project:
src/basisset/parser.rs#L48
field `basis_set_name` is never read
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Rust project:
src/calc_type/mod.rs#L16
variant `ROHF_ref` is never constructed
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Rust project:
src/calc_type/guess.rs#L11
function `compute_sad_guess` is never used
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Rust project:
src/calc_type/guess.rs#L38
function `sad_calc_num_ao` is never used
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Rust project
The `set-output` command is deprecated and will be disabled soon. Please upgrade to using Environment Files. For more information see: https://github.blog/changelog/2022-10-11-github-actions-deprecating-save-state-and-set-output-commands/
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Rust project
The `set-output` command is deprecated and will be disabled soon. Please upgrade to using Environment Files. For more information see: https://github.blog/changelog/2022-10-11-github-actions-deprecating-save-state-and-set-output-commands/
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Rust project
The `set-output` command is deprecated and will be disabled soon. Please upgrade to using Environment Files. For more information see: https://github.blog/changelog/2022-10-11-github-actions-deprecating-save-state-and-set-output-commands/
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Rust project
The `set-output` command is deprecated and will be disabled soon. Please upgrade to using Environment Files. For more information see: https://github.blog/changelog/2022-10-11-github-actions-deprecating-save-state-and-set-output-commands/
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