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Updated documentation and README
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RaphaelRobidas committed Jan 28, 2022
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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -81,8 +81,8 @@ usage: ccinput [-h] [--basis_set BASIS_SET] [--solvent SOLVENT] [--solvation_mod
[--density_fitting DENSITY_FITTING] [--custom_basis_sets CUSTOM_BASIS_SETS] [--xyz XYZ]
[--file FILE] [--output OUTPUT] [--constraints CONSTRAINTS] [--freeze ATOM [ATOM ...]]
[--scan ATOM [ATOM ...]] [--from FROM] [--to TO] [--nsteps NSTEPS] [--step STEP]
[--nproc NPROC] [--mem MEM] [--charge CHARGE] [--mult MULT] [--name NAME]
[--aux_name AUX_NAME] [--header HEADER] [--version]
[--nproc NPROC] [--mem MEM] [--charge CHARGE] [--mult MULT] [--d3 | --d3bj]
[--name NAME] [--aux_name AUX_NAME] [--header HEADER] [--version]
software type method
```

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1 change: 1 addition & 0 deletions docs/source/overview.rst
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Expand Up @@ -93,6 +93,7 @@ Choice of solvation radii yes yes
Custom basis sets yes yes
Density fitting yes no
Custom additional keywords yes yes
Dispersion corrections yes yes
=============================== ============ ===========


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