Thomas Applencourt f26f761b0b New setup v2

2015-06-08 12:35:40 +02:00

..

compilation

New setup v2

2015-06-08 12:35:40 +02:00

ezfio_interface

New setup v2

2015-06-08 12:35:40 +02:00

module

Add doc

2015-06-05 09:50:24 +02:00

pseudo

Added Davidson in MRCC

2015-05-21 10:15:13 +02:00

upgrade

Move upgrade script into upgrade folder

2015-04-30 14:20:08 +02:00

utility

Fix import

2015-06-04 17:37:43 +02:00

.gitignore

Remove check_dependencies.sh, is no handle by module_handler.py

2015-05-04 15:53:42 +02:00

generate_h_apply.py

Fix cache_compile.py and ninja make all the binary

2015-05-28 12:03:14 +02:00

get_basis.sh

Changed pseudo_ao in EZFIO

2015-05-26 21:37:17 +02:00

make_binary.sh

Fixed static build with gfortran

2015-03-26 02:16:12 +01:00

perturbation.py

Accelerated Davidson

2014-05-17 14:20:55 +02:00

qp_bitmasks.py

Added qpackage run command

2014-06-27 01:26:46 +02:00

qp_include.sh

New Working (maybe?) makefile

2015-05-15 16:30:43 +02:00

qp_set_frozen_core.py

Better estimated PT2

2015-03-16 18:30:38 +01:00

save_current_mos.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00