Anthony Scemama 3d63d39df8 Merge pull request #189 from QuantumPackage/cleaning_dft ... frozen core unset		2022-03-07 16:41:35 +01:00
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.gitignore	Initial commit	2019-01-25 11:39:31 +01:00
qp_basis	First python3 3 working installation	2020-03-17 18:02:29 +01:00
qp_convert_output_to_ezfio	Merge branch 'master' into dev	2022-01-25 22:41:01 +01:00
qp_e_conv_fci	Develop (#10)	2019-02-22 19:19:58 +01:00
qp_export_as_tgz	Move restore_symm keyword	2021-05-16 01:32:55 +02:00
qp_gaussian	Added qp_gaussian	2021-07-11 02:18:35 +02:00
qp_mpirun	Initial commit	2019-01-25 11:39:31 +01:00
qp_name	Removed etc/ninja	2020-12-04 10:49:39 +01:00
qp_plugins	Minor changes	2022-01-28 20:50:10 +01:00
qp_reset	Fixed floating-point exceptions	2020-05-25 19:22:10 +02:00
qp_set_frozen_core	added the possibility to unset frozen core orbitals	2022-03-07 16:36:35 +01:00
qp_set_frozen_large_core	Removed etc/ninja	2020-12-04 10:49:39 +01:00
qp_srun	Initial commit	2019-01-25 11:39:31 +01:00
qp_stop	Initial commit	2019-01-25 11:39:31 +01:00
qp_test	First python3 3 working installation	2020-03-17 18:02:29 +01:00
qp_update	Initial commit	2019-01-25 11:39:31 +01:00
qpsh	Add support for symbolic link which target qpsh	2019-01-28 11:32:06 +01:00