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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/scripts
2015-05-18 12:12:44 +02:00
..
compilation Add ninja.build generator 2015-05-18 12:12:44 +02:00
ezfio_interface New Working (maybe?) makefile 2015-05-15 16:30:43 +02:00
install Move some file to be logic 2015-05-13 15:59:06 +02:00
module Add ninja.build generator 2015-05-18 12:12:44 +02:00
pseudo Move do_pseudo 2015-05-11 15:50:39 +02:00
upgrade Move upgrade script into upgrade folder 2015-04-30 14:20:08 +02:00
utility Move some file to be logic 2015-05-13 15:59:06 +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 Merge branch 'master' of github.com:scemama/quantum_package 2015-05-04 19:24:25 +02:00
get_basis.sh Suport pseudo in qp_create 2015-05-02 14:50:23 +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