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mirror of https://github.com/pfloos/quack synced 2024-06-22 21:22:20 +02:00
quack/scripts
2021-11-06 14:36:54 +01:00
..
extract.sh scripts 2020-03-22 20:34:12 +01:00
PyDuck clean up 2020-10-14 23:31:14 +02:00
PyOptions.json clean up 2020-10-14 23:31:14 +02:00
PyOptions.template.json clean up 2020-10-14 23:31:14 +02:00
run_sph.sh scripts 2020-03-22 20:34:12 +01:00
scan_Be2.sh scripts 2020-03-22 20:34:12 +01:00
scan_BF_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_BF.sh scripts 2020-03-22 20:34:12 +01:00
scan_CO_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_CO.sh scripts 2020-03-22 20:34:12 +01:00
scan_F2_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_F2.sh scripts 2020-03-22 20:34:12 +01:00
scan_H2.sh fix print in CCSD 2021-11-06 14:36:54 +01:00
scan_HCl_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_HCl.sh scripts 2020-03-22 20:34:12 +01:00
scan_LiF_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_LiF.sh scripts 2020-03-22 20:34:12 +01:00
scan_LiH_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_LiH.sh scripts 2020-03-22 20:34:12 +01:00
scan_N2_FC.sh scripts 2020-03-22 20:34:12 +01:00
scan_N2.sh scripts 2020-03-22 20:34:12 +01:00
scan_w.sh clean up 2020-10-14 23:31:14 +02:00