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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_motion_print.F19 dump_dcd_aligned_cell,&
275 … enum_i_vals=(/dump_atomic, dump_dcd, dump_dcd_aligned_cell, dump_pdb, dump_xmol, dump_xmol/), &
H A Dmotion_utils.F30 dump_dcd_aligned_cell,&
361 CASE (dump_dcd, dump_dcd_aligned_cell)
483 CASE (dump_dcd, dump_dcd_aligned_cell)
H A Dparticle_methods.F33 dump_dcd_aligned_cell,&
302 CASE (dump_dcd, dump_dcd_aligned_cell)
308 IF (.NOT. cell%orthorhombic .AND. (output_format == dump_dcd_aligned_cell)) THEN
348 IF (.NOT. cell%orthorhombic .AND. (output_format == dump_dcd_aligned_cell)) THEN
H A Dqs_loc_methods.F50 dump_dcd, dump_dcd_aligned_cell, dump_xmol, op_loc_berry, op_loc_boys, op_loc_pipek, &
1075 CASE (dump_dcd, dump_dcd_aligned_cell)
H A Dinput_constants.F363 dump_dcd_aligned_cell = 5 variable
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_motion_print.F19 dump_dcd_aligned_cell,&
275 … enum_i_vals=(/dump_atomic, dump_dcd, dump_dcd_aligned_cell, dump_pdb, dump_xmol, dump_xmol/), &
H A Dmotion_utils.F30 dump_dcd_aligned_cell,&
361 CASE (dump_dcd, dump_dcd_aligned_cell)
483 CASE (dump_dcd, dump_dcd_aligned_cell)
H A Dparticle_methods.F33 dump_dcd_aligned_cell,&
303 CASE (dump_dcd, dump_dcd_aligned_cell)
309 IF (.NOT. cell%orthorhombic .AND. (output_format == dump_dcd_aligned_cell)) THEN
349 IF (.NOT. cell%orthorhombic .AND. (output_format == dump_dcd_aligned_cell)) THEN
H A Dqs_loc_methods.F50 dump_dcd, dump_dcd_aligned_cell, dump_xmol, op_loc_berry, op_loc_boys, op_loc_pipek, &
1066 CASE (dump_dcd, dump_dcd_aligned_cell)
H A Dinput_constants.F363 dump_dcd_aligned_cell = 5 variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dpint_io.F30 dump_dcd_aligned_cell,&
171 CASE (dump_dcd, dump_dcd_aligned_cell)
324 CASE (dump_dcd, dump_dcd_aligned_cell)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dpint_io.F30 dump_dcd_aligned_cell,&
171 CASE (dump_dcd, dump_dcd_aligned_cell)
324 CASE (dump_dcd, dump_dcd_aligned_cell)