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Searched refs:transfer_pot (Results 1 – 12 of 12) sorted by relevance

/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_IMD__MD_113599595631_003/
H A DEAM_IMD.c312 if (r2 < buffer->transfer_pot.end[col1]) { in compute()
327 if (r2 < buffer->transfer_pot.end[col2]) in compute()
334 if (r2 < buffer->transfer_pot.end[col2]) in compute()
398 if ((r2 < buffer->transfer_pot.end[col1]) || (r2 < buffer->transfer_pot.end[col2])) in compute()
890 free(buffer->transfer_pot.begin); in destroy()
891 free(buffer->transfer_pot.end); in destroy()
892 free(buffer->transfer_pot.step); in destroy()
893 free(buffer->transfer_pot.invstep); in destroy()
894 free(buffer->transfer_pot.len); in destroy()
895 free(buffer->transfer_pot.table); in destroy()
[all …]
H A DEAM_IMD.h235 pot_table_t transfer_pot; member
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_cdft_types.F214 transfer_pot, external_control, & component
366 cdft_control%transfer_pot = .FALSE.
H A Dmixed_cdft_methods.F849 cdft_control_target%transfer_pot = .FALSE.
945 cdft_control_source%transfer_pot = .TRUE.
947 cdft_control_source%transfer_pot = .FALSE.
1016 cdft_control_target%transfer_pot = .FALSE.
1018 cdft_control_target%transfer_pot = .TRUE.
1025 cdft_control_target%transfer_pot = .FALSE.
1104 cdft_control%transfer_pot = .FALSE.
H A Dqs_cdft_methods.F734 IF (.NOT. cdft_control%transfer_pot) THEN
H A Dqs_ks_methods.F737 IF (.NOT. cdft_control%transfer_pot) THEN
H A Dqs_scf.F1115 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_cdft_types.F214 transfer_pot, external_control, & component
366 cdft_control%transfer_pot = .FALSE.
H A Dmixed_cdft_methods.F848 cdft_control_target%transfer_pot = .FALSE.
944 cdft_control_source%transfer_pot = .TRUE.
946 cdft_control_source%transfer_pot = .FALSE.
1015 cdft_control_target%transfer_pot = .FALSE.
1017 cdft_control_target%transfer_pot = .TRUE.
1024 cdft_control_target%transfer_pot = .FALSE.
1103 cdft_control%transfer_pot = .FALSE.
H A Dqs_cdft_methods.F733 IF (.NOT. cdft_control%transfer_pot) THEN
H A Dqs_ks_methods.F722 IF (.NOT. cdft_control%transfer_pot) THEN
H A Dqs_scf.F1081 IF (.NOT. (cdft_control%save_pot .OR. cdft_control%transfer_pot)) THEN