pfloos d5e7be1500 fix scf convergence issues in RHF, UHF, ROHF and GHF		2023-11-17 00:26:44 +01:00
..
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	IntPak read geom fixed	2019-03-31 22:28:04 +02:00
level_shifting.f90	remove COHSEX and modify phLR in GW routines	2023-07-18 14:59:18 +02:00
Makefile	bug in makefile debug	2020-10-14 16:02:09 +02:00
orthogonalization_matrix.f90	restructuration QuAcK for restricted and unrestricted branches	2023-10-25 21:38:20 +02:00
read_auxiliary_basis.f90	create utils	2019-03-20 13:38:42 +01:00
read_basis_pyscf.f90	fixing openmp bugs and some warning	2023-08-21 10:54:33 +02:00
read_basis.f90	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00
read_dipole_integrals.f90	major modification for makefiles	2020-09-30 00:10:57 +02:00
read_geometry.f90	add optimization in BSE@GW	2023-07-10 11:36:45 +02:00
read_integrals.f90	oscillator strength and dipole integrals	2020-09-28 21:25:25 +02:00
read_molecule.f90	restructuration QuAcK for restricted and unrestricted branches	2023-10-25 21:38:20 +02:00
sort.f90	remove COHSEX and modify phLR in GW routines	2023-07-18 14:59:18 +02:00
spatial_to_spin_ERI.f90	major modification for makefiles	2020-09-30 00:10:57 +02:00
spatial_to_spin_fock.f90	CID and CISD	2022-01-04 11:39:33 +01:00
spatial_to_spin_MO_energy.f90	major modification for makefiles	2020-09-30 00:10:57 +02:00
utils.f90	modifs print qsGW	2023-11-09 09:37:21 +01:00
wrap_lapack.f90	fix scf convergence issues in RHF, UHF, ROHF and GHF	2023-11-17 00:26:44 +01:00