10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 04:13:33 +01:00
Quantum chemistry written with OCaml
Go to file
2018-02-23 00:58:54 +01:00
Basis Removed TRR 2018-02-23 00:58:54 +01:00
Nuclei Nuclear repulsion 2018-02-20 23:54:48 +01:00
Utils Hartree-Fock OK 2018-02-22 18:20:45 +01:00
_tags Introduces Simulation 2018-02-09 00:37:25 +01:00
.gitignore Lexer/Parser for basis sets 2017-12-30 19:06:07 +01:00
.merlin Nuclear repulsion 2018-02-20 23:54:48 +01:00
Makefile Nuclear repulsion 2018-02-20 23:54:48 +01:00
myocamlbuild.ml Erf 2018-02-01 22:19:23 +01:00
README.rst Introduces Simulation 2018-02-09 00:37:25 +01:00
run_integrals.ml Removed TRR 2018-02-23 00:58:54 +01:00
Simulation.ml Removed TRR 2018-02-23 00:58:54 +01:00

Requirements
------------

* gmp : GNU Multiple Precision arithmetic library
* BLAS/LAPACK : Linear algebra
* Zarith : Arbitrary-precision integers
* LaCaml : LAPACK OCaml interface
* SklMl : Parallel skeletons for OCaml