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Anthony Scemama 4452d445f5 Working on parallelism
2019-02-25 14:37:20 +01:00
Basis
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CI
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MOBasis
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Nuclei
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Parallel_mpi
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Parallel_serial
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SCF
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test_files
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Utils
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_tags
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.gitignore
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.merlin
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.ocamlinit
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configure
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INSTALL.md
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LICENSE
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Makefile.include
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META
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myocamlbuild.ml
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README.rst
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Simulation.ml
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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
---------------
Description
Quantum chemistry written with OCaml
ocamlpost-hf
Readme GPL-3.0 14 MiB
Languages
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%