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obj
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create utils
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2019-03-20 13:38:42 +01:00 |
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chem_to_phys_ERI.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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DIIS_extrapolation.f90
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fix DIIS in GW
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2019-04-01 15:53:39 +02:00 |
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elements.f90
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IntPak read geom fixed
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2019-03-31 22:28:04 +02:00 |
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Makefile
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CIS(D) sligntly faster
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2020-10-02 13:42:21 +02:00 |
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norm_coeff.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
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orthogonalization_matrix.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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overlap.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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phys_to_chem_ERI.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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print_excitation.f90
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spin flip for CIS and TDHF almost done
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2020-10-05 16:58:19 +02:00 |
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read_auxiliary_basis.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
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read_basis.f90
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update UGW
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2020-09-21 16:54:38 +02:00 |
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read_dipole_integrals.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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read_geometry.f90
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clean up
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2020-01-17 13:45:02 +01:00 |
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read_integrals_sph.f90
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correcting bug in read_integrals
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2019-05-08 08:59:26 +02:00 |
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read_integrals.f90
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oscillator strength and dipole integrals
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2020-09-28 21:25:25 +02:00 |
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read_LR.f90
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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read_molecule.f90
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iterative dynamic correction for BSE
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2020-05-21 16:13:52 +02:00 |
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read_MOs.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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rij.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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sort.f90
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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spatial_to_spin_ERI.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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spatial_to_spin_MO_energy.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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utils.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
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wrap_lapack.f90
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sort ppRPA
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2020-03-25 21:10:21 +01:00 |
