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obj
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Radovan fix numgrid
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2020-03-22 15:33:49 +01:00 |
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allocate_grid.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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AO_values_grid.f90
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numgrid test
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2020-03-23 17:26:12 +01:00 |
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auxiliary_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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B88_gga_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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B88_gga_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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build_grid.f90
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fix bug in RMFL20
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2020-03-31 12:39:26 +02:00 |
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C16_lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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C16_lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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CC_B88_gga_exchange_energy.f90
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add CC-B88
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2022-02-07 10:47:15 +01:00 |
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CC_B88_gga_exchange_potential.f90
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add CC-B88
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2022-02-07 10:47:15 +01:00 |
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CC_lda_exchange_derivative_discontinuity.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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CC_lda_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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CC_lda_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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CC_lda_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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correlation_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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density_matrix.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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density.f90
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remove examples dir
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2020-10-14 15:07:35 +02:00 |
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eDFT.f90
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level shift and proper guess
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2022-02-02 15:06:51 +01:00 |
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elda_correlation_energy.f90
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fix bug in LDA shift
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2020-03-31 22:15:45 +02:00 |
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elda_correlation_individual_energy.f90
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clean up
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2020-07-06 15:42:21 +02:00 |
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elda_correlation_potential.f90
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fix bug in LDA shift
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2020-03-31 22:15:45 +02:00 |
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electron_number.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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exchange_derivative_discontinuity.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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exchange_energy.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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exchange_potential.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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fock_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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fock_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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fock_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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G96_gga_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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G96_gga_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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generate_shell.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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gga_correlation_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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gga_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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gga_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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gga_exchange_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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gga_exchange_energy.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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gga_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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gga_exchange_potential.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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gradient_density.f90
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workin on restricted
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2020-03-15 16:29:43 +01:00 |
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hartree_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hartree_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hartree_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_correlation_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_exchange_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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hybrid_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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individual_energy.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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lda_correlation_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_exchange_derivative_discontinuity.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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lda_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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lda_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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LYP_gga_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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LYP_gga_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_correlation_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_exchange_derivative_discontinuity.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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mgga_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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one_electron_density.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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PBE_gga_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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PBE_gga_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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PBE_gga_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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PBE_gga_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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print_individual_energy.f90
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fix bugs in print in UKS
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2022-01-08 13:59:45 +01:00 |
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print_UKS.f90
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fix bugs in print in UKS
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2022-01-08 13:59:45 +01:00 |
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PW92_lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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PW92_lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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read_grid.f90
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debug numgrid
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2020-03-25 12:56:28 +01:00 |
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read_options_dft.f90
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CC-B88 kappa in DD and many other things
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2022-02-07 10:40:50 +01:00 |
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S51_lda_exchange_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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S51_lda_exchange_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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S51_lda_exchange_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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select_rung.f90
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working on structure eDFT code
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2021-02-13 23:09:52 +01:00 |
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UKS.f90
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merge with T2
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2022-02-07 10:45:18 +01:00 |
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VWN3_lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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VWN3_lda_correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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VWN3_lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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VWN5_lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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VWN5_lda_correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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VWN5_lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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W38_lda_correlation_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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W38_lda_correlation_individual_energy.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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W38_lda_correlation_potential.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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xc_potential_grid.f90
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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xc_potential.f90
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Vxc in GW
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2021-02-15 17:27:06 +01:00 |
