Home
last modified time | relevance | path

Searched refs:save_pot (Results 1 – 17 of 17) sorted by relevance

/dports/science/ergo/ergo-3.8/source/
H A Dergo_scripted.h90 EXTERN_C int es_run(const char *mode, int save_pot);
H A Dergo_scripted.cc685 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 Dqs_cdft_types.F209 LOGICAL :: need_pot, save_pot, do_et, & component
365 cdft_control%save_pot = .FALSE.
H A Dqs_cdft_methods.F190 IF (cdft_control%save_pot) THEN
233 IF (cdft_control%save_pot .OR. &
247 IF (cdft_control%save_pot .OR. &
H A Dqs_cdft_utils.F153 IF (cdft_control%save_pot) THEN
405 IF (in_memory .OR. cdft_control%save_pot) THEN
H A Dqs_force.F202 dft_control%qs_control%cdft_control%save_pot = .TRUE.
H A Dqs_ks_methods.F759 cdft_control%save_pot = .FALSE.
H A Dqs_scf.F1115 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN
H A Dmixed_cdft_methods.F2406 IF (cdft_control%save_pot .OR. &
2421 IF (cdft_control%save_pot .OR. &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_cdft_types.F209 LOGICAL :: need_pot, save_pot, do_et, & component
365 cdft_control%save_pot = .FALSE.
H A Dqs_cdft_methods.F189 IF (cdft_control%save_pot) THEN
232 IF (cdft_control%save_pot .OR. &
246 IF (cdft_control%save_pot .OR. &
H A Dqs_cdft_utils.F152 IF (cdft_control%save_pot) THEN
399 IF (in_memory .OR. cdft_control%save_pot) THEN
H A Dqs_force.F201 dft_control%qs_control%cdft_control%save_pot = .TRUE.
H A Dqs_ks_methods.F744 cdft_control%save_pot = .FALSE.
H A Dqs_scf.F1081 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN
H A Dmixed_cdft_methods.F2405 IF (cdft_control%save_pot .OR. &
2420 IF (cdft_control%save_pot .OR. &
/dports/science/dftbplus/dftbplus-19.1/external/poisson/
H A Dpoisson.F9064 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