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Quantum chemistry written with OCaml
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2018-03-03 21:19:50 +01:00
Basis CLeaning Zkey 2018-02-25 01:40:12 +01:00
HartreeFock Added HartreeFock 2018-02-23 18:44:31 +01:00
Nuclei Documentation 2018-02-24 23:57:38 +01:00
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.gitignore Lexer/Parser for basis sets 2017-12-30 19:06:07 +01:00
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README.rst Introduces Simulation 2018-02-09 00:37:25 +01:00
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Requirements
------------

* gmp : GNU Multiple Precision arithmetic library
* BLAS/LAPACK : Linear algebra
* Zarith : Arbitrary-precision integers
* LaCaml : LAPACK OCaml interface
* SklMl : Parallel skeletons for OCaml