Add pair potential and tests

This commit is contained in:
Alex Selimov 2025-04-16 14:01:40 -04:00
parent dfd6f43e9b
commit 6162b27a89
11 changed files with 330 additions and 14 deletions

22
src/box.hpp Normal file
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#ifndef BOX_H
#define BOX_H
/**
* Struct representing the simulation box.
* Currently the simulation box is always assumed to be perfectly rectangular.
* This code does not support shearing the box. This functionality may be added
* in later.
*/
template <typename T> struct Box {
T xlo;
T xhi;
T ylo;
T yhi;
T zlo;
T zhi;
bool x_is_periodic;
bool y_is_periodic;
bool z_is_periodic;
};
#endif