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Quantum chemistry written with OCaml
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Anthony Scemama 701ac05e23 Beryllium singlet/triplet ok
2019-08-17 11:48:13 +02:00
Basis Working on f12. 2019-05-07 17:00:44 +02:00
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README.rst 

Requirements
------------

* MPI : Message Passing Interface
* 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
* Alcotest : Lightweight testing framework

Troubleshooting
---------------