LCPQ/quantum_package

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Anthony Scemama d6e172ca4a Repaired SCF

2015-01-11 16:01:46 +01:00

Improved setup scripts to auto-install curl and m4

2014-10-23 22:40:21 +02:00

Merge branch 'master' of github.com:LCPQ/quantum_package

2015-01-07 18:05:09 +01:00

Added documentation and Makefile

2014-04-01 18:21:01 +02:00

Documentation in qp_create_ezfio_from_xyz.ml

2015-01-11 15:31:26 +01:00

Compiles again

2015-01-08 20:35:29 +01:00

Repaired SCF

2015-01-11 16:01:46 +01:00

.gitignore

Added MOs and bitmasks

2014-04-03 01:59:48 +02:00

INSTALL.md

Added INSTALL.md

2015-01-09 23:52:44 +01:00

LICENSE

Initial commit

2014-04-01 02:24:45 -07:00

Makefile

Cleaning in determinants

2014-11-28 23:01:29 +01:00

README.md

INSTALL.md link

2015-01-09 23:53:47 +01:00

setup_environment.sh

Checking map_integrals.irp.f

2014-10-27 12:40:30 +01:00

README.md

Quantum package

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Set of quantum chemistry programs and libraries.

For more information, you can visit the wiki of the project, or the Install file.

Languages

Fortran 80.5%

OCaml 9.4%

Python 5.5%

Forth 3.5%

Shell 0.8%

Other 0.1%