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Quantum chemistry written with OCaml
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2019-11-20 16:42:28 +01:00
Basis Debugging 2019-11-20 16:42:28 +01:00
CI Debugging 2019-11-20 16:42:28 +01:00
MOBasis Debugging 2019-11-20 16:42:28 +01:00
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Parallel_mpi [@tailcall] statements 2019-09-10 18:39:14 +02:00
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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
---------------