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ao_extra_basis
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fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
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2024-12-16 19:01:31 +01:00 |
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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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moved ao_one_e_integrals_from_mo into mo_one_e_ints
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2024-11-20 18:26:27 +01:00 |
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bi_ort_ints
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2e-noL with CUDA
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2024-08-08 23:41:03 +02:00 |
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bi_ortho_mos
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Optim in int2_grad1_u12_bimo_t
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2024-08-08 12:47:47 +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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starting jpsiking
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2024-09-08 18:45:15 +02:00 |
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extra_basis_int
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fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
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2024-12-16 19:01:31 +01:00 |
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extra_nuclei
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fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
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2024-12-16 19:01:31 +01:00 |
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fci_tc_bi
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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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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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starting jpsiking
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2024-09-08 18:45:15 +02:00 |
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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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fixed dependencies in jastrow and mu_of_r
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2024-09-09 12:23:18 +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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remove double counting of nuclear repulsion
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2024-08-27 15:23:42 +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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Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable
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2024-08-08 11:40:02 +02:00 |
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tc_int
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Add rm -f in uninstall plugin
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2024-09-18 16:44:33 +02:00 |
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tc_keywords
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new attempt of mu(r)
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2024-08-27 15:24:46 +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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devide BH jast coeff by 2 direct
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2024-08-04 11:58:19 +02:00 |
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tuto_plugins
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added extra basis
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2024-12-04 15:58:59 +01:00 |
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.gitignore
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Develop (#15)
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2019-03-07 16:29:06 +01:00 |
