Merge branch 'virial1' into 'exaalt'

// should LATTE take triclinic box from LAMMPS

// does Coulomb potential = pe[i]/q[i], is it 0 when q = 0

// how will this work for serial/parallel LAMMPS with serial/parallel LATTE

// NOTE: ADD checks for metal units !!!!!!!!!!!!!

// INPORTANT NOTE: ADD checks for metal units !!!!!!!!!!!!!

#include <stdio.h>

#include <string.h>

  flags[0] = pbcflag;         // 1 for fully periodic, 0 for fully non-periodic

  flags[1] = coulombflag;     // 1 for LAMMPS computes Coulombics, 0 for LATTE

  flags[2] = eflag_atom; //pe_peratom;      // 1 to return per-atom energies, 0 for no

  flags[3] = vflag_global; //virial_global;   // 1 to return global virial 0 for no

  flags[4] = vflag_atom;  //virial_peratom;  // 1 to return per-atom virial, 0 for no

  flags[2] = eflag_atom;      // 1 to return per-atom energies, 0 for no

  flags[3] = vflag_global;    // 1 to return global virial 0 for no

  flags[4] = vflag_atom;      // 1 to return per-atom virial, 0 for no

  flags[5] = neighflag;       // 1 to pass neighbor list to LATTE, 0 for no

  // setup LATTE arguments