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Quantum chemistry written with OCaml
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2018-03-14 21:52:34 +01:00
Basis Added prim in ContractedShell 2018-03-14 21:52:34 +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 Hash table for zkey_array 2018-03-13 18:24:00 +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