Patch of Dihedral class2

   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator

   http://lammps.sandia.gov, Sandia National Laboratories

   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract

   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains

   certain rights in this software.  This software is distributed under

   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.

------------------------------------------------------------------------- */

#include "math_const.h"

#include "memory.h"

#include "error.h"

#include "utils.h"

using namespace LAMMPS_NS;

using namespace MathConst;

  allocate();

  if (comm->me == 0) {

    fread(&k1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&k2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&k3[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&phi1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&phi2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&phi3[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&mbt_f1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&mbt_f2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&mbt_f3[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&mbt_r0[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f1_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f2_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f3_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_r0_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f1_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f2_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_f3_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&ebt_r0_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f1_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f2_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f3_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f1_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f2_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_f3_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&at_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&aat_k[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&bb13t_k[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&bb13t_r10[1],sizeof(double),atom->ndihedraltypes,fp);

    fread(&bb13t_r30[1],sizeof(double),atom->ndihedraltypes,fp);

    utils::sfread(FLERR,&k1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&k2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&k3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&phi1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&phi2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&phi3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&mbt_f1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&mbt_f2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&mbt_f3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&mbt_r0[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f1_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f2_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f3_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_r0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f1_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f2_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_f3_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&ebt_r0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f1_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f2_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f3_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f1_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f2_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_f3_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&at_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&aat_k[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&bb13t_k[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&bb13t_r10[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

    utils::sfread(FLERR,&bb13t_r30[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error);

  }

  MPI_Bcast(&k1[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);

            at_f1_2[i],at_f2_2[i],at_f3_2[i],

            at_theta0_1[i]*180.0/MY_PI,at_theta0_2[i]*180.0/MY_PI);

}

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