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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-19 04:22:36 +01:00
quantum_package/scripts
2015-06-04 12:09:28 +02:00
..
compilation update_readme.py and so one 2015-06-04 12:09:28 +02:00
ezfio_interface Try to merge... 2015-06-03 14:03:11 +02:00
install Fix log always print 2015-06-04 10:57:50 +02:00
module update_readme.py and so one 2015-06-04 12:09:28 +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 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
cache_compile.py Added Davidson in MRCC 2015-05-21 10:15:13 +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