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Quantum chemistry written with OCaml
Basis | ||
Nuclei | ||
Utils | ||
_tags | ||
.gitignore | ||
Makefile | ||
myocamlbuild.ml | ||
README.rst | ||
run_integrals.ml | ||
Simulation.ml |
Requirements ------------ * gmp : GNU Multiple Precision arithmetic library * BLAS/LAPACK : Linear algebra * Zarith : Arbitrary-precision integers * LaCaml : LAPACK OCaml interface * SklMl : Parallel skeletons for OCaml