mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <lj_cut.h>
Public Member Functions | |
LJCutPeriodicCellLists (double c6, double c12, double rcut, Array< double > const boxvec, double ncellx_scale) |
Pairwise Lennard-Jones potential with smooth cutoff with loops done using cell lists
pele::LJCutPeriodicCellLists< ndim >::LJCutPeriodicCellLists | ( | double | c6, |
double | c12, | ||
double | rcut, | ||
Array< double > const | boxvec, | ||
double | ncellx_scale | ||
) | [inline] |