Searched defs:rt_convergence_density (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/ |
| H A D | rt_propagation_output.F | 453 SUBROUTINE rt_convergence_density(rtp, delta_P, delta_eps) subroutine
459 CHARACTER(len=*), PARAMETER :: routineN = 'rt_convergence_density', & argument
460 routineP = moduleN//':'//routineN
461 REAL(KIND=dp), PARAMETER :: one = 1.0_dp, zero = 0.0_dp
463 INTEGER :: col_atom, group, handle, i, ispin, &
464 row_atom
465 REAL(dp) :: alpha, max_alpha
466 REAL(dp), DIMENSION(:), POINTER :: block_values
467 TYPE(dbcsr_iterator_type) :: iter
468 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_new
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| /dports/science/cp2k-data/cp2k-7.1.0/src/emd/ |
| H A D | rt_propagation_output.F | 453 SUBROUTINE rt_convergence_density(rtp, delta_P, delta_eps) subroutine
459 CHARACTER(len=*), PARAMETER :: routineN = 'rt_convergence_density', & argument
460 routineP = moduleN//':'//routineN
461 REAL(KIND=dp), PARAMETER :: one = 1.0_dp, zero = 0.0_dp
463 INTEGER :: col_atom, group, handle, i, ispin, &
464 row_atom
465 REAL(dp) :: alpha, max_alpha
466 REAL(dp), DIMENSION(:), POINTER :: block_values
467 TYPE(dbcsr_iterator_type) :: iter
468 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: rho_new
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