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cipsi.irp.f
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Introducing cipsi_utils for CIPSI and TC-CIPSI
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2024-03-12 16:37:52 +01:00 |
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energy.irp.f
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Refactor CIPSI / TC-CIPSI
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2024-03-12 17:27:43 +01:00 |
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EZFIO.cfg
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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fock_diag.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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get_d0_good.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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get_d0_transp.irp.f
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it works with new routines for pt2 tc
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2024-05-07 21:00:19 +02:00 |
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get_d1_good.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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get_d1_transp.irp.f
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updated default keywords in tc_keywords and ao_twoe_e_ints
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2024-05-08 17:26:48 +02:00 |
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get_d2_good.irp.f
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trying to speed up the PT2 in TC by transposing the array of tc integrals
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2024-05-07 19:43:05 +02:00 |
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get_d2_transp.irp.f
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trying to speed up the PT2 in TC by transposing the array of tc integrals
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2024-05-07 19:43:05 +02:00 |
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get_d.irp.f
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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NEED
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Introducing cipsi_utils for CIPSI and TC-CIPSI
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2024-03-12 16:37:52 +01:00 |
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pouet
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Moved many modules in plugins/local for quicker installation
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2023-11-07 10:27:34 +01:00 |
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pt2_stoch_routines.irp.f
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Introducing cipsi_utils for CIPSI and TC-CIPSI
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2024-03-12 16:37:52 +01:00 |
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pt2.irp.f
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updated default keywords in tc_keywords and ao_twoe_e_ints
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2024-05-08 17:26:48 +02:00 |
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run_selection_slave.irp.f
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Refactor CIPSI / TC-CIPSI
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2024-03-12 17:27:43 +01:00 |
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selection.irp.f
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updated default keywords in tc_keywords and ao_twoe_e_ints
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2024-05-08 17:26:48 +02:00 |
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stochastic_cipsi.irp.f
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fixed some weird dependencies in TC, introduced an AO cholesky 2e function
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2024-07-16 17:44:48 +02:00 |
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write_cipsi_json.irp.f
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modifs in json and diagonalize_ci for fci tc bi
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2024-03-12 14:05:38 +01:00 |
