ParM
parm
A molecular dynamics library
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Repulsion potential with drag, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ drag is f = -γv in the normal direction. More...
#include <interaction.hpp>
Public Member Functions | |
EpsSigExpDragAtom () | |
EpsSigExpDragAtom (AtomID a, flt eps, flt sigma, flt gamma, flt exponent=2.5) | |
EpsSigExpDragAtom (AtomID a, EpsSigExpDragAtom 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 | |
flt | eps |
flt | sigma |
flt | exponent |
flt | gamma |
Repulsion potential with drag, with ε = √(ε₁ ε₂) and σ = (σ₁ + σ₂)/2 Potential is V(r) = ε/n (1 - r/σ)^n, with n = 5/2 usually cutoff at r = σ drag is f = -γv in the normal direction.
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inline |
flt EpsSigExpDragAtom::eps |
flt EpsSigExpDragAtom::exponent |
flt EpsSigExpDragAtom::gamma |
flt EpsSigExpDragAtom::sigma |