12 #define MIN_DEBUG_LEVEL 1
16 DebugM(3,
"Test calculate called\n");
18 DebugM(3,
"putting two atoms into request list");
36 if(atomID_end - atomID_ptr != 2) {
37 DebugM(3,
"found " << atomID_end - atomID_ptr <<
" atoms\n");
41 while(atomID_ptr != atomID_end) {
42 DebugM(2,
"Atom " << *atomID_ptr <<
" is at "
43 << position_ptr->
x <<
" " << position_ptr->
y <<
" "
44 << position_ptr->
z <<
"\n");
ForceList & modifyAppliedForces()
AtomIDList & modifyRequestedAtoms()
AtomIDList::const_iterator getAtomIdBegin()
PositionList::const_iterator getAtomPositionBegin()
const ForceList & appliedForces()
AtomIDList & modifyForcedAtoms()
void NAMD_die(const char *err_msg)
int add(const Elem &elem)
AtomIDList::const_iterator getAtomIdEnd()
const AtomIDList & requestedAtoms()