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Searched refs:dispersion_uff (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_tb.F21 dispersion_uff,&
243 enum_i_vals=(/dispersion_uff, dispersion_d3/), &
246 default_i_val=dispersion_uff)
H A Dqs_dftb_dispersion.F19 dispersion_uff
83 CASE (dispersion_uff)
H A Dqs_dftb_parameters.F30 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 Dinput_constants.F1070 INTEGER, PARAMETER, PUBLIC :: dispersion_uff = 100, & variable
H A Dqs_neighbor_lists.F48 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 Dinput_cp2k_tb.F21 dispersion_uff,&
243 enum_i_vals=(/dispersion_uff, dispersion_d3/), &
246 default_i_val=dispersion_uff)
H A Dqs_dftb_dispersion.F19 dispersion_uff
83 CASE (dispersion_uff)
H A Dqs_dftb_parameters.F30 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 Dinput_constants.F1052 INTEGER, PARAMETER, PUBLIC :: dispersion_uff = 100, & variable
H A Dqs_neighbor_lists.F48 USE input_constants, ONLY: dispersion_uff,&
759 IF (dft_control%qs_control%dftb_control%dispersion_type == dispersion_uff) THEN