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Quantum chemistry written with OCaml
Basis | ||
HartreeFock | ||
Nuclei | ||
Utils | ||
_tags | ||
.gitignore | ||
.merlin | ||
.ocamlinit | ||
configure | ||
INSTALL.md | ||
Makefile.include | ||
META | ||
myocamlbuild.ml | ||
opam | ||
README.rst | ||
run_hartree_fock.ml | ||
run_integrals.ml | ||
Simulation.ml | ||
style.css |
Requirements ------------ * 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