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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 |
1.8.10