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Quantum chemistry written with OCaml
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2018-03-21 18:54:56 +01:00
Basis Introduced atomic_shell_pair_couples 2018-03-21 18:54:56 +01:00
HartreeFock Hash table for zkey_array 2018-03-13 18:24:00 +01:00
Nuclei Documentation 2018-03-03 22:13:14 +01:00
Utils ContractedAtomicShell 2018-03-20 14:11:31 +01:00
_tags Documentation 2018-03-06 00:47:33 +01:00
.gitignore Lexer/Parser for basis sets 2017-12-30 19:06:07 +01:00
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Requirements
------------

* BLAS/LAPACK : Linear algebra
* LaCaml : LAPACK OCaml interface
* Zarith : Arbitrary-precision integers
* gmp : GNU Multiple Precision arithmetic library
* odoc-ltxhtml : https://github.com/akabe/odoc-ltxhtml