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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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AO_values_grid.f90
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create utils
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2019-03-20 13:38:42 +01:00 |
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B88_gga_exchange_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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B88_gga_exchange_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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C16_lda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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C16_lda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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correlation_derivative_discontinuity.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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density.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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dft_grid.F
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scan
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2019-10-06 22:39:11 +02:00 |
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eDFT.f90
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starting modifying code for clotilde
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2020-03-15 08:23:01 +01:00 |
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elda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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elda_correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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elda_correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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elda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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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_energy.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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exchange_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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fock_exchange_energy.f90
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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fock_exchange_potential.f90
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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G96_gga_exchange_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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G96_gga_exchange_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +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_energy.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_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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gga_exchange_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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gga_exchange_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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GOK_RKS.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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GOK_UKS.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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gradient_density.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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hartree_coulomb.f90
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_correlation_derivative_discontinuity.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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lda_exchange_energy.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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lda_exchange_potential.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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LF19_lda_correlation_derivative_discontinuity.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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LF19_lda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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LF19_lda_correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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LF19_lda_correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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LF19_lda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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Makefile
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revive eDFT code
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2020-03-14 23:00:44 +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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orthogonalization_matrix.f90
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basis correction
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2019-07-09 16:17:10 +02:00 |
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print_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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print_RKS.f90
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R or U
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2020-03-15 08:24:15 +01:00 |
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print_UKS.f90
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R or U
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2020-03-15 08:24:15 +01:00 |
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quadrature_grid.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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read_grid.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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read_options.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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RMFL20_lda_exchange_energy.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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RMFL20_lda_exchange_potential.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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RS51_lda_exchange_energy.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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RS51_lda_exchange_potential.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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S51_lda_exchange_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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S51_lda_exchange_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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select_rung.f90
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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VWN5_lda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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VWN5_lda_correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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VWN5_lda_correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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VWN5_lda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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W38_lda_correlation_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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W38_lda_correlation_individual_energy.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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W38_lda_correlation_Levy_Zahariev_shift.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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W38_lda_correlation_potential.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
