PTEROSOR/QuAcK
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Code Releases Activity
QuAcK/src/utils
History
pfloos 19fd073ab9 fix bug in sort_ppRPA
2023-11-29 16:20:53 +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 bug in sort_ppRPA
2023-11-29 16:20:53 +01:00