forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1823 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -609,9 +609,6 @@ void Atom::tag_extend()
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int Atom::tag_consecutive()
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int Atom::tag_consecutive()
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{
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{
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int check[2],check_all[2];
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check[0] = check[1] = 0;
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int idmin = static_cast<int> (natoms);
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int idmin = static_cast<int> (natoms);
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int idmax = 0;
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int idmax = 0;
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@ -130,7 +130,6 @@ void ComputeTempCOM::compute_vector()
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if (dynamic) masstotal = group->mass(igroup);
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if (dynamic) masstotal = group->mass(igroup);
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group->vcm(igroup,masstotal,vbias);
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group->vcm(igroup,masstotal,vbias);
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double **x = atom->x;
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double **v = atom->v;
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double **v = atom->v;
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double *mass = atom->mass;
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double *mass = atom->mass;
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double *rmass = atom->rmass;
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double *rmass = atom->rmass;
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@ -237,9 +237,8 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
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int nall = atom->nlocal + atom->nghost;
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int nall = atom->nlocal + atom->nghost;
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double *special_coul = force->special_coul;
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double *special_coul = force->special_coul;
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double *special_lj = force->special_lj;
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double *special_lj = force->special_lj;
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int newton_pair = force->newton_pair;
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int i,j,ii,jj,m,inum,jnum,itype,jtype;
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int i,j,ii,jj,inum,jnum,itype;
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double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
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double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
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int *ilist,*jlist,*numneigh,**firstneigh;
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int *ilist,*jlist,*numneigh,**firstneigh;
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@ -288,8 +288,6 @@ void FixAveTime::init()
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// set indices and check validity of all computes,fixes,variables
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// set indices and check validity of all computes,fixes,variables
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// check that fix frequency is acceptable
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// check that fix frequency is acceptable
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int ilist = 0;
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for (int i = 0; i < nvalues; i++) {
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for (int i = 0; i < nvalues; i++) {
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if (which[i] == COMPUTE) {
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if (which[i] == COMPUTE) {
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int icompute = modify->find_compute(ids[i]);
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int icompute = modify->find_compute(ids[i]);
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@ -328,8 +326,7 @@ void FixAveTime::setup(int vflag)
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void FixAveTime::end_of_step()
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void FixAveTime::end_of_step()
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{
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{
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int i,j,k,m;
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int i,m;
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double tmp;
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// skip if not step which requires doing something
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// skip if not step which requires doing something
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@ -345,8 +342,6 @@ void FixAveTime::end_of_step()
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modify->clearstep_compute();
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modify->clearstep_compute();
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int ilist = 0;
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for (i = 0; i < nvalues; i++) {
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for (i = 0; i < nvalues; i++) {
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m = value2index[i];
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m = value2index[i];
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@ -129,7 +129,6 @@ void FixNVTSlodd::final_integrate()
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// thermostat thermal velocity only
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// thermostat thermal velocity only
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// vdelu = SLLOD correction = Hrate*Hinv*vthermal
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// vdelu = SLLOD correction = Hrate*Hinv*vthermal
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double **x = atom->x;
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double **v = atom->v;
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double **v = atom->v;
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double **f = atom->f;
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double **f = atom->f;
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double *mass = atom->mass;
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double *mass = atom->mass;
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@ -88,7 +88,6 @@ void FixNVTSphere::initial_integrate(int vflag)
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double **x = atom->x;
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double **x = atom->x;
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double **v = atom->v;
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double **v = atom->v;
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double **f = atom->f;
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double **f = atom->f;
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double **quat = atom->quat;
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double **omega = atom->omega;
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double **omega = atom->omega;
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double **torque = atom->torque;
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double **torque = atom->torque;
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double *mass = atom->mass;
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double *mass = atom->mass;
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@ -138,7 +138,7 @@ void FixViscosity::init()
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void FixViscosity::end_of_step()
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void FixViscosity::end_of_step()
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{
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{
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int i,m,insert;
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int i,m,insert;
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double p,coord,delta;
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double coord,delta;
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MPI_Status status;
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MPI_Status status;
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struct {
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struct {
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double value;
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double value;
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@ -502,7 +502,7 @@ void MinCG::force_clear()
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int MinCG::linemin_backtrack(int n, double *x, double *dir, double eng,
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int MinCG::linemin_backtrack(int n, double *x, double *dir, double eng,
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double maxdist, double &alpha, int &nfunc)
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double maxdist, double &alpha, int &nfunc)
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{
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{
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int i,m;
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int i;
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// stopping criterion, must be scaled by normflag
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// stopping criterion, must be scaled by normflag
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