obj
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create utils
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2019-03-20 13:38:42 +01:00 |
elements.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
Makefile
|
bug in makefile debug
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2020-10-14 16:02:09 +02:00 |
non_sym_diag.f90
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few modifs
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2024-08-31 13:30:34 +02:00 |
orthogonalization_matrix.f90
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introduce nBas_MOs in RHF
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2024-08-28 17:27:46 +02:00 |
read_auxiliary_basis.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
read_basis_pyscf.f90
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clean up format
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2024-09-01 21:42:10 +02:00 |
read_basis.f90
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saving cRHF
|
2024-04-22 15:59:02 +02:00 |
read_CAP_integrals.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
read_dipole_integrals.f90
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saving cRHF
|
2024-04-22 15:59:02 +02:00 |
read_geometry.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
read_integrals.f90
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ERI dat -> binary
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2024-08-28 15:07:20 +02:00 |
read_molecule.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
sort.f90
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minimal changes in many files
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2023-12-03 18:47:30 +01:00 |
spatial_to_spin_ERI.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
spatial_to_spin_fock.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
spatial_to_spin_MO_energy.f90
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saving cRHF
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2024-04-22 15:59:02 +02:00 |
utils.f90
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introduce nBas_MOs in RHF_search
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2024-08-28 19:22:06 +02:00 |
wrap_lapack.f90
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optim in AdAt
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2024-08-21 13:51:12 +02:00 |