LCPQ/quantum_package

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Manu 0242bf9303 Molden interface

2015-01-07 16:52:58 +01:00

Improved setup scripts to auto-install curl and m4

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

Minor modifs

2014-11-12 14:26:57 +01:00

Added documentation and Makefile

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

Elaborated definition of basis name

2014-11-16 18:05:04 +01:00

Update scripts for irpf90 and ezfio

2014-11-04 01:03:50 +01:00

Molden interface

2015-01-07 16:52:58 +01:00

.gitignore

Added MOs and bitmasks

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

LICENSE

Initial commit

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

Makefile

Repaired irpman

2014-11-07 13:26:47 +01:00

README.md

Update README.md

2014-11-09 18:28:40 +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

Languages

Fortran 80.5%

OCaml 9.4%

Python 5.5%

Forth 3.5%

Shell 0.8%

Other 0.1%