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Quantum chemistry written with OCaml
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Anthony Scemama bf3ffb652d PT2 is not working yet
2019-03-18 19:17:15 +01:00
Basis F12 integrals 2019-03-13 22:02:08 +01:00
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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
---------------