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.gitignore
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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python
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Add python bash in bin
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2023-04-18 12:47:54 +02:00 |
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qp_basis
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
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qp_convert_output_to_ezfio
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Merge branch 'master' into dev
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2022-01-25 22:41:01 +01:00 |
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qp_e_conv_fci
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Develop (#10)
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2019-02-22 19:19:58 +01:00 |
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qp_export_as_tgz
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Move restore_symm keyword
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2021-05-16 01:32:55 +02:00 |
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qp_gaussian
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Added qp_gaussian
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2021-07-11 02:18:35 +02:00 |
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qp_mpirun
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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qp_name
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Removed etc/ninja
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2020-12-04 10:49:39 +01:00 |
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qp_plugins
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Minor changes
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2022-01-28 20:50:10 +01:00 |
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qp_reset
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Clean MOs for TCSCF in qp_reset
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2023-02-06 13:39:16 +01:00 |
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qp_set_frozen_core
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Help message in qp_set_frozen_core
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2023-02-06 13:45:27 +01:00 |
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qp_set_frozen_large_core
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Removed etc/ninja
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2020-12-04 10:49:39 +01:00 |
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qp_srun
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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qp_stop
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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qp_test
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Update for bats 1.7
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2023-02-06 13:42:20 +01:00 |
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qp_update
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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qpsh
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Update qpsh for Darwin
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2023-04-18 14:34:11 +02:00 |
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zcat
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Improved zcat
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2023-04-18 11:28:44 +02:00 |
