1 #ifndef SIMP_WCA_PAIR_H 2 #define SIMP_WCA_PAIR_H 11 #include <simp/interaction/pair/LJPair.h> 55 void set(std::string name,
int i,
int j,
double value);
Classes used by all simpatico molecular simulations.
void readParameters(std::istream &in)
Read epsilon and sigma, initialize other variables.
Utility classes for scientific computation.
A cutoff, shifted Lennard-Jones nonbonded pair interaction.
A Weeks-Chandler-Anderson (WCA) repulsive LJ interaction.