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ao_many_one_e_ints
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fixed bug for env_type = None
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2024-01-17 19:23:24 +01:00 |
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ao_tc_eff_map
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hamiltonian -> jastrow
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2024-01-15 19:02:05 +01:00 |
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basis_correction
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added sparse cholesky mu_of_r
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2024-05-23 14:45:33 +02:00 |
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bi_ort_ints
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working on the matrix elements both
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2024-05-07 20:32:48 +02:00 |
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bi_ortho_mos
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saving olympe2 modif
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2024-04-07 00:29:40 +02:00 |
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casscf_tc_bi
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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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cipsi_tc_bi_ortho
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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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fci_tc_bi
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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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gpu_intel
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Fix link stage for intel gpus
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2024-07-09 23:04:22 +02:00 |
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gpu_nvidia
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Finished r1
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2024-07-03 18:24:13 +02:00 |
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gpu_x86
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Finished r1
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2024-07-03 18:24:13 +02:00 |
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jastrow
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few modif
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2024-02-23 23:51:03 +01:00 |
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mo_localization
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Begining to make some cleaning in TC
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2024-04-25 19:48:17 +02:00 |
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non_h_ints_mu
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Merge pull request #37 from QuantumPackage/dev-stable
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2024-06-26 08:27:56 +02:00 |
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non_hermit_dav
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TC-SCF CLEANED
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2024-05-01 23:10:18 +02:00 |
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normal_order_old
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fixed forgotten stuffs in normal_order_old/NEED
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2024-05-21 12:26:30 +02:00 |
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old_delta_tc_qmc
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compiling after some cleaning
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2024-05-06 18:58:12 +02:00 |
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ortho_three_e_ints
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TC SPRING CLEANING: BEGINNING
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2024-05-01 20:25:01 +02:00 |
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qmckl
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Fixing compilation
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2023-11-07 11:12:10 +01:00 |
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slater_tc
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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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slater_tc_no_opt
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compiling after some cleaning
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2024-05-06 18:58:12 +02:00 |
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spher_harm
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beginning to put cholesky in CASSCF
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2024-07-11 13:57:28 +02:00 |
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tc_bi_ortho
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removed prints in plugins/local/tc_bi_ortho/tc_h_eigvectors.irp.f
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2024-05-22 17:32:56 +02:00 |
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tc_int
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Working on TC ints. Not well tested
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2024-06-26 17:55:56 +02:00 |
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tc_keywords
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removed stupid print in tc_keywords/EZFIO.cfg
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2024-05-23 10:02:46 +02:00 |
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tc_progs
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minor modifs
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2024-05-21 13:01:48 +02:00 |
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tc_scf
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minor modifs
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2024-05-21 13:01:48 +02:00 |
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tuto_plugins
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fixed a bug in cholesk_ao_transp
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2024-05-15 15:41:35 +02:00 |
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.gitignore
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Develop (#15)
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2019-03-07 16:29:06 +01:00 |
