Searched refs:save_pot (Results 1 – 17 of 17) sorted by relevance
/dports/science/ergo/ergo-3.8/source/ |
H A D | ergo_scripted.h | 90 EXTERN_C int es_run(const char *mode, int save_pot);
|
H A D | ergo_scripted.cc | 685 es_run(const char *mode, int save_pot) in es_run() argument 825 || save_pot; in es_run()
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_cdft_types.F | 209 LOGICAL :: need_pot, save_pot, do_et, & component 365 cdft_control%save_pot = .FALSE.
|
H A D | qs_cdft_methods.F | 190 IF (cdft_control%save_pot) THEN 233 IF (cdft_control%save_pot .OR. & 247 IF (cdft_control%save_pot .OR. &
|
H A D | qs_cdft_utils.F | 153 IF (cdft_control%save_pot) THEN 405 IF (in_memory .OR. cdft_control%save_pot) THEN
|
H A D | qs_force.F | 202 dft_control%qs_control%cdft_control%save_pot = .TRUE.
|
H A D | qs_ks_methods.F | 759 cdft_control%save_pot = .FALSE.
|
H A D | qs_scf.F | 1115 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN
|
H A D | mixed_cdft_methods.F | 2406 IF (cdft_control%save_pot .OR. & 2421 IF (cdft_control%save_pot .OR. &
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_cdft_types.F | 209 LOGICAL :: need_pot, save_pot, do_et, & component 365 cdft_control%save_pot = .FALSE.
|
H A D | qs_cdft_methods.F | 189 IF (cdft_control%save_pot) THEN 232 IF (cdft_control%save_pot .OR. & 246 IF (cdft_control%save_pot .OR. &
|
H A D | qs_cdft_utils.F | 152 IF (cdft_control%save_pot) THEN 399 IF (in_memory .OR. cdft_control%save_pot) THEN
|
H A D | qs_force.F | 201 dft_control%qs_control%cdft_control%save_pot = .TRUE.
|
H A D | qs_ks_methods.F | 744 cdft_control%save_pot = .FALSE.
|
H A D | qs_scf.F | 1081 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN
|
H A D | mixed_cdft_methods.F | 2405 IF (cdft_control%save_pot .OR. & 2420 IF (cdft_control%save_pot .OR. &
|
/dports/science/dftbplus/dftbplus-19.1/external/poisson/ |
H A D | poisson.F90 | 64 public :: init_poissbox, mudpack_drv, set_rhs, save_pot, rho, n_alpha 867 if (id0) call save_pot(iparm,fparm,dlx,dly,dlz,phi,rhs) 1846 end subroutine save_pot
|