obj
|
create utils
|
2019-03-20 13:38:42 +01:00 |
elements.f90
|
IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
Makefile
|
bug in makefile debug
|
2020-10-14 16:02:09 +02:00 |
orthogonalization_matrix.f90
|
fix bug in T matrix
|
2021-02-16 10:00:01 +01:00 |
read_auxiliary_basis.f90
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create utils
|
2019-03-20 13:38:42 +01:00 |
read_basis_pyscf.f90
|
remove qcaml for pyscf
|
2023-07-03 14:33:48 +02:00 |
read_basis.f90
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remove qcaml for pyscf
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2023-07-03 14:33:48 +02:00 |
read_dipole_integrals.f90
|
major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
read_geometry.f90
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add optimization in BSE@GW
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2023-07-10 11:36:45 +02:00 |
read_molecule.f90
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iterative dynamic correction for BSE
|
2020-05-21 16:13:52 +02:00 |
sort.f90
|
remove COHSEX and modify phLR in GW routines
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2023-07-18 14:59:18 +02:00 |
spatial_to_spin_fock.f90
|
CID and CISD
|
2022-01-04 11:39:33 +01:00 |
spatial_to_spin_MO_energy.f90
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major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
utils.f90
|
remove COHSEX and modify phLR in GW routines
|
2023-07-18 14:59:18 +02:00 |