Searched refs:dispersion_uff (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_cp2k_tb.F | 21 dispersion_uff,& 243 enum_i_vals=(/dispersion_uff, dispersion_d3/), & 246 default_i_val=dispersion_uff)
|
H A D | qs_dftb_dispersion.F | 19 dispersion_uff 83 CASE (dispersion_uff)
|
H A D | qs_dftb_parameters.F | 30 USE input_constants, ONLY: dispersion_uff 593 IF (dftb_control%dispersion_type == dispersion_uff) THEN 672 IF (dftb_control%dispersion_type == dispersion_uff) THEN
|
H A D | input_constants.F | 1070 INTEGER, PARAMETER, PUBLIC :: dispersion_uff = 100, & variable
|
H A D | qs_neighbor_lists.F | 48 USE input_constants, ONLY: dispersion_uff,& 758 IF (dft_control%qs_control%dftb_control%dispersion_type == dispersion_uff) THEN
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_cp2k_tb.F | 21 dispersion_uff,& 243 enum_i_vals=(/dispersion_uff, dispersion_d3/), & 246 default_i_val=dispersion_uff)
|
H A D | qs_dftb_dispersion.F | 19 dispersion_uff 83 CASE (dispersion_uff)
|
H A D | qs_dftb_parameters.F | 30 USE input_constants, ONLY: dispersion_uff 593 IF (dftb_control%dispersion_type == dispersion_uff) THEN 672 IF (dftb_control%dispersion_type == dispersion_uff) THEN
|
H A D | input_constants.F | 1052 INTEGER, PARAMETER, PUBLIC :: dispersion_uff = 100, & variable
|
H A D | qs_neighbor_lists.F | 48 USE input_constants, ONLY: dispersion_uff,& 759 IF (dft_control%qs_control%dftb_control%dispersion_type == dispersion_uff) THEN
|