Anthony Scemama 0267780a19 Compiles with IRPF90/ninja

2015-05-28 01:22:02 +02:00

..

ezfio_interface

Added module DensityFit

2015-05-13 22:53:26 +02:00

install

Added Davidson in MRCC

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

module

Compiles with IRPF90/ninja

2015-05-28 01:22:02 +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

.gitignore

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

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

cache_compile.py

Added Davidson in MRCC

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

ezfio_with_default.py

Remove WILL be DELETED and change ezfio_with_default in concequance

2015-04-20 09:11:12 +02:00

fetch_from_web.py

Removed wget requirement

2014-04-07 15:45:19 +02:00

follow_output.py

Added ocaml qp_run

2014-10-10 00:26:49 +02:00

generate_h_apply.py

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

2015-05-04 19:24:25 +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

Rename only_children... into module_handler.py

2015-05-04 15:03:53 +02:00

qp_set_frozen_core.py

Better estimated PT2

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

qp_utils.py

Add qp_utils.py for cache decorator, remove pickl in ei_handler.py

2015-05-05 11:05:27 +02:00

run_Makefile_common.sh

Add all.png to git

2015-05-12 10:05:20 +02:00

run_Makefile_global.sh

Move upgrade script into upgrade folder

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

run_tests.py

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

2014-05-24 03:29:35 +02:00

save_current_mos.sh

Lots of cleaning in scripts and Makefiles

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

update_README.py

Change image name, add image in README.rst, and add Graphviz in dependancy

2015-05-12 10:39:49 +02:00