.. |
obj
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create utils
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2019-03-20 13:38:42 +01:00 |
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 |
dfac.f90
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dfac
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2020-10-14 08:41:01 +02:00 |
DIIS_extrapolation.f90
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fix DIIS in GW
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2019-04-01 15:53:39 +02:00 |
elements.f90
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IntPak read geom fixed
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2019-03-31 22:28:04 +02:00 |
Makefile
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bug in makefile debug
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2020-10-14 16:02:09 +02:00 |
norm_coeff.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
orthogonalization_matrix.f90
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fix bug in T matrix
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2021-02-16 10:00:01 +01:00 |
overlap.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
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 |
read_auxiliary_basis.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
read_basis.f90
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update UGW
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2020-09-21 16:54:38 +02:00 |
read_dipole_integrals.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
read_geometry.f90
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clean up
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2020-01-17 13:45:02 +01:00 |
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 |
read_integrals.f90
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oscillator strength and dipole integrals
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2020-09-28 21:25:25 +02:00 |
read_LR.f90
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RS in GW
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2020-04-16 17:02:01 +02:00 |
read_molecule.f90
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iterative dynamic correction for BSE
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2020-05-21 16:13:52 +02:00 |
read_MOs.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
rij.f90
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major modification for makefiles
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2020-09-30 00:10:57 +02:00 |
sort.f90
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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 |
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 |
utils.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
wrap_lapack.f90
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qsGW
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2021-06-25 10:19:42 +02:00 |