LCPQ/QCaml
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Quantum chemistry written with OCaml
21 Commits 3 Branches 0 Tags 14 MiB
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%
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Anthony Scemama e4786b7765 Optimized Zkey
2018-01-20 12:10:32 +01:00
Basis Optimized Zkey 2018-01-20 12:10:32 +01:00
Nuclei Optimized ERIs 2018-01-19 03:14:06 +01:00
Utils Optimized Zkey 2018-01-20 12:10:32 +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 Optimized Zkey 2018-01-20 12:10:32 +01:00
run_integrals.ml Optimizations 2018-01-19 20:20:19 +01:00