pfloos 0f9846b4f2 clean up format		2024-09-01 21:42:10 +02:00
..
obj	create utils	2019-03-20 13:38:42 +01:00
DIIS_extrapolation.f90	fix scf convergence issues in RHF, UHF, ROHF and GHF	2023-11-17 00:26:44 +01:00
elements.f90	saving cRHF	2024-04-22 15:59:02 +02:00
level_shifting.f90	RHF in nOrb representation has been tested	2024-09-01 13:50:29 +02:00
Makefile	bug in makefile debug	2020-10-14 16:02:09 +02:00
non_sym_diag.f90	few modifs	2024-08-31 13:30:34 +02:00
orthogonalization_matrix.f90	introduce nBas_MOs in RHF	2024-08-28 17:27:46 +02:00
read_auxiliary_basis.f90	saving cRHF	2024-04-22 15:59:02 +02:00
read_basis_pyscf.f90	clean up format	2024-09-01 21:42:10 +02:00
read_basis.f90	saving cRHF	2024-04-22 15:59:02 +02:00
read_CAP_integrals.f90	saving cRHF	2024-04-22 15:59:02 +02:00
read_dipole_integrals.f90	saving cRHF	2024-04-22 15:59:02 +02:00
read_geometry.f90	saving cRHF	2024-04-22 15:59:02 +02:00
read_integrals.f90	ERI dat -> binary	2024-08-28 15:07:20 +02:00
read_molecule.f90	saving cRHF	2024-04-22 15:59:02 +02:00
sort.f90	minimal changes in many files	2023-12-03 18:47:30 +01:00
spatial_to_spin_ERI.f90	saving cRHF	2024-04-22 15:59:02 +02:00
spatial_to_spin_fock.f90	saving cRHF	2024-04-22 15:59:02 +02:00
spatial_to_spin_MO_energy.f90	saving cRHF	2024-04-22 15:59:02 +02:00
utils.f90	introduce nBas_MOs in RHF_search	2024-08-28 19:22:06 +02:00
wrap_lapack.f90	optim in AdAt	2024-08-21 13:51:12 +02:00