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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 20:34:58 +01:00
QuantumPackage/plugins/local/slater_tc
2024-08-27 15:23:42 +02:00
..
h_mat_triple.irp.f compiling after some cleaning 2024-05-06 18:58:12 +02:00
h_tc_s2_u0.irp.f Begining to make some cleaning in TC 2024-04-25 19:48:17 +02:00
NEED TC-SCF CLEANED 2024-05-01 23:10:18 +02:00
slater_tc_opt_diag.irp.f does not compile but working on it 2024-05-06 18:30:05 +02:00
slater_tc_opt_double.irp.f working on the matrix elements both 2024-05-07 20:32:48 +02:00
slater_tc_opt_single.irp.f it works with new routines for pt2 tc 2024-05-07 21:00:19 +02:00
slater_tc_opt.irp.f remove double counting of nuclear repulsion 2024-08-27 15:23:42 +02:00
tc_hmat.irp.f fixed some weird dependencies in TC, introduced an AO cholesky 2e function 2024-07-16 17:44:48 +02:00