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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 19:43:32 +01:00
qp2/plugins/local
2024-12-13 17:35:24 +01:00
..
ao_extra_basis added transform basis 2024-12-13 17:35:24 +01:00
ao_many_one_e_ints fixed bug for env_type = None 2024-01-17 19:23:24 +01:00
ao_tc_eff_map hamiltonian -> jastrow 2024-01-15 19:02:05 +01:00
basis_correction moved ao_one_e_integrals_from_mo into mo_one_e_ints 2024-11-20 18:26:27 +01:00
bi_ort_ints 2e-noL with CUDA 2024-08-08 23:41:03 +02:00
bi_ortho_mos Optim in int2_grad1_u12_bimo_t 2024-08-08 12:47:47 +02:00
casscf_tc_bi Moved many modules in plugins/local for quicker installation 2023-11-07 10:27:34 +01:00
cipsi_tc_bi_ortho starting jpsiking 2024-09-08 18:45:15 +02:00
extra_basis_int beginning the fit on 1s functions 2024-12-11 14:30:42 +01:00
extra_nuclei added transform basis 2024-12-13 17:35:24 +01:00
fci_tc_bi fixed some weird dependencies in TC, introduced an AO cholesky 2e function 2024-07-16 17:44:48 +02:00
gpu_intel Fix link stage for intel gpus 2024-07-09 23:04:22 +02:00
gpu_nvidia Finished r1 2024-07-03 18:24:13 +02:00
gpu_x86 Finished r1 2024-07-03 18:24:13 +02:00
jastrow starting jpsiking 2024-09-08 18:45:15 +02:00
mo_localization Begining to make some cleaning in TC 2024-04-25 19:48:17 +02:00
non_h_ints_mu fixed dependencies in jastrow and mu_of_r 2024-09-09 12:23:18 +02:00
non_hermit_dav TC-SCF CLEANED 2024-05-01 23:10:18 +02:00
normal_order_old fixed forgotten stuffs in normal_order_old/NEED 2024-05-21 12:26:30 +02:00
old_delta_tc_qmc compiling after some cleaning 2024-05-06 18:58:12 +02:00
ortho_three_e_ints TC SPRING CLEANING: BEGINNING 2024-05-01 20:25:01 +02:00
qmckl Fixing compilation 2023-11-07 11:12:10 +01:00
slater_tc remove double counting of nuclear repulsion 2024-08-27 15:23:42 +02:00
slater_tc_no_opt compiling after some cleaning 2024-05-06 18:58:12 +02:00
spher_harm beginning to put cholesky in CASSCF 2024-07-11 13:57:28 +02:00
tc_bi_ortho Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable 2024-08-08 11:40:02 +02:00
tc_int Add rm -f in uninstall plugin 2024-09-18 16:44:33 +02:00
tc_keywords new attempt of mu(r) 2024-08-27 15:24:46 +02:00
tc_progs minor modifs 2024-05-21 13:01:48 +02:00
tc_scf devide BH jast coeff by 2 direct 2024-08-04 11:58:19 +02:00
tuto_plugins added extra basis 2024-12-04 15:58:59 +01:00
.gitignore Develop (#15) 2019-03-07 16:29:06 +01:00