LCPQ/QCaml
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Quantum chemistry written with OCaml
42 Commits 3 Branches 0 Tags 14 MiB
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%
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Anthony Scemama f3d03cd424 Accelerated norm function
2018-02-01 16:09:04 +01:00
Basis Accelerated norm function 2018-02-01 16:09:04 +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 Accelerated norm function 2018-02-01 16:09:04 +01:00
run_integrals.ml Small optimizations 2018-01-30 14:51:37 +01:00