Anthony Scemama 687fa9472a Update drone config

2022-05-12 12:04:32 +02:00

..

.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

Update drone config

2022-05-12 12:04:32 +02:00

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