Searched defs:energy_correction (Results 1 – 7 of 7) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | energy_corrections.F | 189 SUBROUTINE energy_correction(qs_env, ec_init, calculate_forces) subroutine
193 CHARACTER(len=*), PARAMETER :: routineN = 'energy_correction', & argument
201 TYPE(energy_correction_type), POINTER :: ec_env argument
208 IF (qs_env%energy_correction) THEN argument
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| H A D | ct_types.F | 65 REAL(KIND=dp) :: energy_correction component
215 … matrix_t, matrix_v, copy_matrix_x, energy_correction, calculate_energy_corr, & argument
230 REAL(KIND=dp), OPTIONAL :: energy_correction local
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| H A D | qs_environment_types.F | 284 LOGICAL :: energy_correction component
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| H A D | almo_scf_optimizer.F | 3313 REAL(KIND=dp), DIMENSION(2) :: energy_correction local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ct_types.F | 65 REAL(KIND=dp) :: energy_correction component
215 … matrix_t, matrix_v, copy_matrix_x, energy_correction, calculate_energy_corr, & argument
230 REAL(KIND=dp), OPTIONAL :: energy_correction local
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| H A D | kg_environment_types.F | 119 LOGICAL :: energy_correction component
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| H A D | almo_scf_optimizer.F | 2297 REAL(KIND=dp), DIMENSION(2) :: energy_correction local
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