10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-11-14 10:03:39 +01:00
Quantum chemistry written with OCaml
Go to file
2018-03-15 15:25:49 +01:00
Basis Pretty printers 2018-03-15 15:25:49 +01:00
HartreeFock Hash table for zkey_array 2018-03-13 18:24:00 +01:00
Nuclei Documentation 2018-03-03 22:13:14 +01:00
Utils Pretty printers 2018-03-15 15:25:49 +01:00
_tags Documentation 2018-03-06 00:47:33 +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
.ocamlinit Removed gamess parser 2018-03-08 23:29:08 +01:00
INSTALL.md Documentation 2018-03-06 18:25:54 +01:00
Makefile Documentation 2018-03-06 18:25:54 +01:00
myocamlbuild.ml Erf 2018-02-01 22:19:23 +01:00
README.rst Documentation 2018-03-06 00:47:33 +01:00
run_hartree_fock.ml Added HartreeFock 2018-02-23 18:44:31 +01:00
run_integrals.ml Removed TRR 2018-02-23 00:58:54 +01:00
Simulation.ml Removed gamess parser 2018-03-08 23:29:08 +01:00

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