ParM
parm
A molecular dynamics library
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#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 |
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vector<flt> IEpsISigExpAtom::epsilons |
flt IEpsISigExpAtom::exponent |
uint IEpsISigExpAtom::indx |
vector<flt> IEpsISigExpAtom::sigmas |