Abdallah Ammar 674635c057 remove double counting of nuclear repulsion

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