LCPQ/QCaml
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Quantum chemistry written with OCaml
31 Commits 3 Branches 0 Tags 14 MiB
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%
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Anthony Scemama 8a851eb4ed Working on vectorized code
2018-01-25 13:59:31 +01:00
Basis Working on vectorized code 2018-01-25 13:59:31 +01:00
Nuclei Inserted overlap 2018-01-22 23:19:24 +01:00
Utils Accelerated HRR and VRR 2018-01-24 16:29:48 +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 Fixed 2018-01-24 16:34:50 +01:00
run_integrals.ml Inserted overlap 2018-01-22 23:19:24 +01:00