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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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dfac.f90
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dfac
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2020-10-14 08:41:01 +02:00 |
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DIIS_extrapolation.f90
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BeO
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2022-11-29 16:01:02 +01:00 |
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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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level_shifting.f90
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fix ACFDT for Tmatrix
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2022-02-03 10:05:58 +01:00 |
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Makefile
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bug in makefile debug
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2020-10-14 16:02:09 +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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fix bug in T matrix
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2021-02-16 10:00:01 +01:00 |
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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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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_pyscf.f90
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remove qcaml for pyscf
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2023-07-03 14:33:48 +02:00 |
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read_basis.f90
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remove qcaml for pyscf
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2023-07-03 14:33:48 +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_F12_integrals.f90
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remove old methods and options
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2022-11-29 09:54:18 +01:00 |
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read_geometry.f90
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add optimization in BSE@GW
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2023-07-10 11:36:45 +02:00 |
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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_fock.f90
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CID and CISD
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2022-01-04 11:39:33 +01:00 |
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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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modif in utils
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2023-03-14 14:12:43 +01:00 |
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wrap_lapack.f90
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optimize memory in diagonalizations
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2023-03-13 10:14:26 +01:00 |
