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ParM
parm
A molecular dynamics library
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#include <interaction.hpp>
Public Member Functions | |
| IEpsRepsSigExpCutAtom () | |
| IEpsRepsSigExpCutAtom (AtomID a, vector< flt > epsilons, flt repeps, flt sigma, flt n, uint indx, flt cut) | |
| IEpsRepsSigExpCutAtom (AtomID a, IEpsRepsSigExpCutAtom other) | |
| flt | get_epsilon (IEpsRepsSigExpCutAtom &other) |
| flt | get_sigma (IEpsRepsSigExpCutAtom &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 |
| flt | repeps |
| flt | sigma |
| flt | exponent |
| uint | indx |
| flt | sigcut |
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| vector<flt> IEpsRepsSigExpCutAtom::epsilons |
| flt IEpsRepsSigExpCutAtom::exponent |
| uint IEpsRepsSigExpCutAtom::indx |
| flt IEpsRepsSigExpCutAtom::repeps |
| flt IEpsRepsSigExpCutAtom::sigcut |
| flt IEpsRepsSigExpCutAtom::sigma |
1.8.10