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mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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#include <lj_cut.h>
Public Member Functions | |
| LJCutAtomList (double C6, double C12, double rcut, Array< size_t > atoms1, Array< size_t > atoms2) | |
| LJCutAtomList (double C6, double C12, double rcut, Array< size_t > atoms1) | |
Pairwise Lennard-Jones potential with smooth cutoff with loops done using atom lists
| pele::LJCutAtomList::LJCutAtomList | ( | double | C6, |
| double | C12, | ||
| double | rcut, | ||
| Array< size_t > | atoms1, | ||
| Array< size_t > | atoms2 | ||
| ) | [inline] |
| pele::LJCutAtomList::LJCutAtomList | ( | double | C6, |
| double | C12, | ||
| double | rcut, | ||
| Array< size_t > | atoms1 | ||
| ) | [inline] |
1.7.6.1