quack/src/utils
Pierre-Francois Loos 1b93413299 dfac 2020-10-13 21:22:56 +02:00
..
obj create utils 2019-03-20 13:38:42 +01:00
DIIS_extrapolation.f90 fix DIIS in GW 2019-04-01 15:53:39 +02:00
Makefile ninja 2020-10-13 13:44:24 +02:00
chem_to_phys_ERI.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
dfac.f dfac 2020-10-13 21:22:56 +02:00
elements.f90 IntPak read geom fixed 2019-03-31 22:28:04 +02:00
norm_coeff.f90 create utils 2019-03-20 13:38:42 +01:00
orthogonalization_matrix.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
overlap.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
phys_to_chem_ERI.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
read_LR.f90 RS in GW 2020-04-16 17:02:01 +02:00
read_MOs.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
read_auxiliary_basis.f90 create utils 2019-03-20 13:38:42 +01:00
read_basis.f90 update UGW 2020-09-21 16:54:38 +02:00
read_dipole_integrals.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
read_geometry.f90 clean up 2020-01-17 13:45:02 +01:00
read_integrals.f90 oscillator strength and dipole integrals 2020-09-28 21:25:25 +02:00
read_integrals_sph.f90 correcting bug in read_integrals 2019-05-08 08:59:26 +02:00
read_molecule.f90 iterative dynamic correction for BSE 2020-05-21 16:13:52 +02:00
rij.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
sort.f90 RS in GW 2020-04-16 17:02:01 +02:00
spatial_to_spin_ERI.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
spatial_to_spin_MO_energy.f90 major modification for makefiles 2020-09-30 00:10:57 +02:00
utils.f90 create utils 2019-03-20 13:38:42 +01:00
wrap_lapack.f90 sort ppRPA 2020-03-25 21:10:21 +01:00