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Quantum chemistry written with OCaml
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2018-02-06 17:13:25 +01:00
Basis Removed arrays 2018-02-06 17:13:25 +01:00
Nuclei Inserted overlap 2018-01-22 23:19:24 +01:00
Utils Indentation 2018-02-03 19:01:30 +01:00
_tags Store ERI in a genarray 2018-02-02 10:10:05 +01:00
.gitignore Lexer/Parser for basis sets 2017-12-30 19:06:07 +01:00
Makefile Optimization 2018-02-02 01:25:10 +01:00
myocamlbuild.ml Erf 2018-02-01 22:19:23 +01:00
run_integrals.ml Fixed ERI 2018-02-06 15:49:17 +01:00