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Searched defs:RemoveTorsionConstraint (Results 1 – 6 of 6) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng2_qm_mm.h91 …virtual bool RemoveTorsionConstraint(atom *, atom *, atom *, atom *) { assertion_failed(__FILE__, … in RemoveTorsionConstraint() function
128 …virtual bool RemoveTorsionConstraint(atom *, atom *, atom *, atom *) { assertion_failed(__FILE__, … in RemoveTorsionConstraint() function
H A Deng1_qm.h129 …virtual bool RemoveTorsionConstraint(atom *, atom *, atom *, atom *) { assertion_failed(__FILE__, … in RemoveTorsionConstraint() function
H A Deng1_mm_prmfit.cpp670 bool eng1_mm_prmfit::RemoveTorsionConstraint(atom * a1, atom * a2, atom * a3, atom * a4) in RemoveTorsionConstraint() function in eng1_mm_prmfit
H A Deng1_mm_tripos52.cpp432 bool eng1_mm_tripos52_bt::RemoveTorsionConstraint(atom * a1, atom * a2, atom * a3, atom * a4) in RemoveTorsionConstraint() function in eng1_mm_tripos52_bt
H A Deng1_mm_default.cpp630 bool eng1_mm_default_bt::RemoveTorsionConstraint(atom * a1, atom * a2, atom * a3, atom * a4) in RemoveTorsionConstraint() function in eng1_mm_default_bt
H A Deng1_sf.cpp2452 bool eng1_sf::RemoveTorsionConstraint(atom *, atom *, atom *, atom *) in RemoveTorsionConstraint() function in eng1_sf