|
ParM
parm
A molecular dynamics library
|
#include <interaction.hpp>
Public Member Functions | |
| IEpsISigExpAtom () | |
| IEpsISigExpAtom (AtomID a, vector< flt > epsilons, vector< flt > sigmas, uint indx, flt exponent=2.5) | |
| IEpsISigExpAtom (AtomID a, IEpsISigCutAtom other) | |
| flt | get_epsilon (IEpsISigExpAtom &other) |
| flt | get_sigma (IEpsISigExpAtom &other) |
| flt | max_size () |
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 | |
| vector< flt > | epsilons |
| vector< flt > | sigmas |
| flt | exponent |
| uint | indx |
|
inline |
|
inline |
|
inline |
|
inline |
|
inline |
|
inline |
| vector<flt> IEpsISigExpAtom::epsilons |
| flt IEpsISigExpAtom::exponent |
| uint IEpsISigExpAtom::indx |
| vector<flt> IEpsISigExpAtom::sigmas |
1.8.10