Quantum chemistry written with OCaml

ocamlpost-hf

Anthony Scemama b5ee17ca3e Boys		2018-02-01 19:10:20 +01:00
Basis	Fixed	2018-02-01 17:46:10 +01:00
Nuclei	Inserted overlap	2018-01-22 23:19:24 +01:00
Utils	Boys	2018-02-01 19:10:20 +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
_tags	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
run_integrals.ml	Small optimizations	2018-01-30 14:51:37 +01:00