mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <lj_cut.h>
Public Member Functions | |
LJCutPeriodicAtomList (double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1, Array< size_t > atoms2) | |
LJCutPeriodicAtomList (double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1) |
Pairwise Lennard-Jones potential with smooth cutoff with loops done using atom lists
pele::LJCutPeriodicAtomList::LJCutPeriodicAtomList | ( | double | C6, |
double | C12, | ||
double | rcut, | ||
pele::Array< double > | boxvec, | ||
Array< size_t > | atoms1, | ||
Array< size_t > | atoms2 | ||
) | [inline] |
pele::LJCutPeriodicAtomList::LJCutPeriodicAtomList | ( | double | C6, |
double | C12, | ||
double | rcut, | ||
pele::Array< double > | boxvec, | ||
Array< size_t > | atoms1 | ||
) | [inline] |