LCPQ/QCaml
10
1
Fork 0
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 04:13:33 +01:00
Code Releases Activity
Quantum chemistry written with OCaml
90 Commits 3 Branches 0 Tags 14 MiB
Jupyter Notebook 53.1%
OCaml 46.6%
CSS 0.2%
365735d111
Go to file
Anthony Scemama 365735d111 Working on contraction
2018-02-09 20:18:53 +01:00
Basis Working on contraction 2018-02-09 20:18:53 +01:00
Nuclei Introduces Simulation 2018-02-09 00:37:25 +01:00
Utils Swapping of 2 electrons for HRR 2018-02-09 10:49:27 +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
Makefile Optimization 2018-02-02 01:25:10 +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 Introduces Simulation 2018-02-09 00:37:25 +01:00
Simulation.ml Forgot file 2018-02-09 00:42:26 +01:00

README.rst 

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

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