ParM
parm
A molecular dynamics library
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#include <interaction.hpp>
Public Member Functions | |
FixedForceRegionAtom (AtomID a, Vec direction, vector< flt > boundaries, vector< flt > Fs) | |
flt | energy (Box &box) |
void | set_force (Box &box) |
Public Member Functions inherited from AtomID | |
AtomID () | |
Constructor not recommended: uses UINT_MAX for number, i.e. unknown. More... | |
AtomID (Atom *a, uint n) | |
Recommended constructor. More... | |
uint | n () const |
Public Member Functions inherited from AtomRef | |
AtomRef () | |
AtomRef (Atom *a) | |
Atom & | operator* () const |
Atom * | operator-> () const |
bool | operator== (const AtomRef &other) const |
bool | operator== (const Atom *other) const |
bool | operator!= (const AtomRef &other) const |
bool | operator< (const AtomRef &other) const |
bool | operator<= (const AtomRef &other) const |
bool | operator>= (const AtomRef &other) const |
bool | operator> (const AtomRef &other) const |
bool | is_null () |
Public Attributes | |
Vec | direction |
vector< flt > | boundaries |
vector< flt > | Fs |
FixedForceRegionAtom::FixedForceRegionAtom | ( | AtomID | a, |
Vec | direction, | ||
vector< flt > | boundaries, | ||
vector< flt > | Fs | ||
) |
void FixedForceRegionAtom::set_force | ( | Box & | box | ) |
vector<flt> FixedForceRegionAtom::boundaries |
Vec FixedForceRegionAtom::direction |
vector<flt> FixedForceRegionAtom::Fs |