Searched refs:force_plumed_x (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | metadynamics.F | 248 DIMENSION(:) :: force_plumed_x, force_plumed_y, force_plumed_z local
264 ALLOCATE (force_plumed_x(natom_plumed))
270 force_plumed_x(:) = 0.0d0
305 CALL plumed_gcmd_doubles("setForcesX"//CHAR(0), force_plumed_x(:)) ! PluMed Output !
316 … subsys%particles%els(i_part)%f(1) = subsys%particles%els(i_part)%f(1) + force_plumed_x(i_part)
322 DEALLOCATE (force_plumed_x, force_plumed_y, force_plumed_z)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | metadynamics.F | 249 DIMENSION(:) :: force_plumed_x, force_plumed_y, force_plumed_z local
265 ALLOCATE (force_plumed_x(natom_plumed))
271 force_plumed_x(:) = 0.0d0
306 CALL plumed_gcmd_doubles("setForcesX"//CHAR(0), force_plumed_x(:)) ! PluMed Output !
317 … subsys%particles%els(i_part)%f(1) = subsys%particles%els(i_part)%f(1) + force_plumed_x(i_part)
323 DEALLOCATE (force_plumed_x, force_plumed_y, force_plumed_z)
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