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compilation
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Changed how libraries are handled
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2023-09-19 14:43:42 +02:00 |
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ezfio_interface
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Added Jastrow parameters in EZFIO
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2023-09-19 15:26:50 +02:00 |
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functionals/do_not_touch_func
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Develop (#10)
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2019-02-22 19:19:58 +01:00 |
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module
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Merge branch 'macos' into dev-stable
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2023-10-23 15:30:35 +02:00 |
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utility
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python -> python3
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2023-08-21 14:54:41 +02:00 |
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verif_omp
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OpenMP nested merged
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2021-11-29 10:39:34 +01:00 |
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.gitignore
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gitignore in include
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2023-02-06 17:57:07 +01:00 |
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cipsi_save.sh
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Add cipsi_save.sh
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2022-04-11 23:55:17 +02:00 |
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generate_h_apply.py
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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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get_fci_conv.sh
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added the get_fci_conv.sh script
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2023-03-16 22:11:26 +01:00 |
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get_fci_tc_conv.sh
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added Hn.py
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2023-03-28 12:43:15 +02:00 |
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hello.py
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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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Hn.py
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python -> python3
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2023-08-21 14:54:41 +02:00 |
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import_champ_jastrow.py
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Fixed openmp bug
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2023-09-26 18:39:13 +02:00 |
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opam_installer_no_usr_bin.sh
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added opam_installer_no_usr_bin.sh
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2021-04-15 15:46:41 +02:00 |
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perturbation.py
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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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PYSCF_EOMCC.py
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added the thresh_de_tc_angles keyword in minimize tc angles
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2024-03-08 17:27:18 +01:00 |
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qp_exc_energy.py
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python -> python3
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2023-08-21 14:54:41 +02:00 |
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qp_extract_cipsi_data.py
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qp_extract_cipsi_data.py uses qp_json
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2023-05-10 12:54:02 +02:00 |
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qp_import_trexio.py
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cas_ful -> cas_full
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2023-11-11 16:13:23 +01:00 |
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remove_trailing_spaces
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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save_current_mos.sh
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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script_fci_tc.sh
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added script_fci_tc.sh
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2023-03-17 11:26:51 +01:00 |
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TANGLE_org_mode.sh
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Fixed qp_export_as_tgz
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2023-12-05 17:19:47 +01:00 |
