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Quantum chemistry written with OCaml
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2018-01-29 23:51:58 +01:00
Basis Optimizations swap 2018-01-29 23:51:58 +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 Optimizations 2018-01-29 23:44:48 +01:00
run_integrals.ml Inserted overlap 2018-01-22 23:19:24 +01:00