Searched refs:qmmm_forces (Results 1 – 12 of 12) sorted by relevance
1 subroutine qmmm_forces(inrtdb,mwm,nwm,mwa,nwa,iwz,xw,fw, subroutine
38 USE qmmm_gpw_forces, ONLY: qmmm_forces174 CALL qmmm_forces(qmmm_env%qs_env, &
87 PUBLIC :: qmmm_forces103 SUBROUTINE qmmm_forces(qs_env, qmmm_env, mm_particles, calc_force, mm_cell) subroutine372 END SUBROUTINE qmmm_forces
87 PUBLIC :: qmmm_forces103 SUBROUTINE qmmm_forces(qs_env,qmmm_env,mm_particles,calc_force,mm_cell) subroutine372 END SUBROUTINE qmmm_forces
488 exiting out of qmmm_forces since interface is set qm890 exiting out of qmmm_forces since interface is set qm1226 exiting out of qmmm_forces since interface is set qm1566 exiting out of qmmm_forces since interface is set qm1903 exiting out of qmmm_forces since interface is set qm2243 exiting out of qmmm_forces since interface is set qm2577 exiting out of qmmm_forces since interface is set qm2912 exiting out of qmmm_forces since interface is set qm3251 exiting out of qmmm_forces since interface is set qm3590 exiting out of qmmm_forces since interface is set qm[all …]
304 …tsubst qmmm, qmmm_input task_qmmm_fep task_qmmm_abc qmmm_print_energy1 qmmm_forces qmmm_init qmmm_…
306 …tsubst qmmm, qmmm_input task_qmmm_fep task_qmmm_abc qmmm_print_energy1 qmmm_forces qmmm_init qmmm_…
2231 call qmmm_forces(irtdb,mwm,nwmloc,mwa,nwa,int_mb(i_iwz),xw,fw,