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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_matrix.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.f90
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adding files
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2019-05-07 22:57:57 +02:00 |
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DIIS_extrapolation.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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eDFT.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_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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xcDFT -> eDFT
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2019-03-19 11:33:49 +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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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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fock_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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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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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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xcDFT -> eDFT
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2019-03-19 11:33:49 +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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Kohn_Sham.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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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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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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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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xcDFT -> eDFT
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2019-03-19 11:33:49 +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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xcDFT -> eDFT
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2019-03-19 11:33:49 +01:00 |
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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_KS.f90
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xcDFT -> eDFT
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2019-03-19 11:33:49 +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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xcDFT -> eDFT
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2019-03-19 11:33:49 +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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xcDFT -> eDFT
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2019-03-19 11:33:49 +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 |
