LCPQ/QCaml
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Quantum chemistry written with OCaml
11 Commits 3 Branches 0 Tags 14 MiB
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%
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Anthony Scemama 72eb1ce5c3 Added Angstrom
2018-01-18 14:56:08 +01:00
Basis Working on input 2018-01-18 00:21:05 +01:00
Nuclei Added Angstrom 2018-01-18 14:56:08 +01:00
Utils Added Angstrom 2018-01-18 14:56:08 +01:00
_tags Reading both XYZ and Zmatrix 2018-01-17 15:56:57 +01:00
.gitignore Lexer/Parser for basis sets 2017-12-30 19:06:07 +01:00
Makefile Working on input 2018-01-18 00:21:05 +01:00
run_integrals.ml Added Angstrom 2018-01-18 14:56:08 +01:00