git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1823 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-05-15 22:42:47 +00:00
parent 2ff3e6f768
commit dc41c79c3c
8 changed files with 4 additions and 16 deletions

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@ -609,9 +609,6 @@ void Atom::tag_extend()
int Atom::tag_consecutive() int Atom::tag_consecutive()
{ {
int check[2],check_all[2];
check[0] = check[1] = 0;
int idmin = static_cast<int> (natoms); int idmin = static_cast<int> (natoms);
int idmax = 0; int idmax = 0;

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@ -130,7 +130,6 @@ void ComputeTempCOM::compute_vector()
if (dynamic) masstotal = group->mass(igroup); if (dynamic) masstotal = group->mass(igroup);
group->vcm(igroup,masstotal,vbias); group->vcm(igroup,masstotal,vbias);
double **x = atom->x;
double **v = atom->v; double **v = atom->v;
double *mass = atom->mass; double *mass = atom->mass;
double *rmass = atom->rmass; double *rmass = atom->rmass;

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@ -237,9 +237,8 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
int nall = atom->nlocal + atom->nghost; int nall = atom->nlocal + atom->nghost;
double *special_coul = force->special_coul; double *special_coul = force->special_coul;
double *special_lj = force->special_lj; double *special_lj = force->special_lj;
int newton_pair = force->newton_pair;
int i,j,ii,jj,m,inum,jnum,itype,jtype; int i,j,ii,jj,inum,jnum,itype;
double xtmp,ytmp,ztmp,delx,dely,delz,rsq; double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
int *ilist,*jlist,*numneigh,**firstneigh; int *ilist,*jlist,*numneigh,**firstneigh;

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@ -288,8 +288,6 @@ void FixAveTime::init()
// set indices and check validity of all computes,fixes,variables // set indices and check validity of all computes,fixes,variables
// check that fix frequency is acceptable // check that fix frequency is acceptable
int ilist = 0;
for (int i = 0; i < nvalues; i++) { for (int i = 0; i < nvalues; i++) {
if (which[i] == COMPUTE) { if (which[i] == COMPUTE) {
int icompute = modify->find_compute(ids[i]); int icompute = modify->find_compute(ids[i]);
@ -328,8 +326,7 @@ void FixAveTime::setup(int vflag)
void FixAveTime::end_of_step() void FixAveTime::end_of_step()
{ {
int i,j,k,m; int i,m;
double tmp;
// skip if not step which requires doing something // skip if not step which requires doing something
@ -345,8 +342,6 @@ void FixAveTime::end_of_step()
modify->clearstep_compute(); modify->clearstep_compute();
int ilist = 0;
for (i = 0; i < nvalues; i++) { for (i = 0; i < nvalues; i++) {
m = value2index[i]; m = value2index[i];

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@ -129,7 +129,6 @@ void FixNVTSlodd::final_integrate()
// thermostat thermal velocity only // thermostat thermal velocity only
// vdelu = SLLOD correction = Hrate*Hinv*vthermal // vdelu = SLLOD correction = Hrate*Hinv*vthermal
double **x = atom->x;
double **v = atom->v; double **v = atom->v;
double **f = atom->f; double **f = atom->f;
double *mass = atom->mass; double *mass = atom->mass;

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@ -88,7 +88,6 @@ void FixNVTSphere::initial_integrate(int vflag)
double **x = atom->x; double **x = atom->x;
double **v = atom->v; double **v = atom->v;
double **f = atom->f; double **f = atom->f;
double **quat = atom->quat;
double **omega = atom->omega; double **omega = atom->omega;
double **torque = atom->torque; double **torque = atom->torque;
double *mass = atom->mass; double *mass = atom->mass;

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@ -138,7 +138,7 @@ void FixViscosity::init()
void FixViscosity::end_of_step() void FixViscosity::end_of_step()
{ {
int i,m,insert; int i,m,insert;
double p,coord,delta; double coord,delta;
MPI_Status status; MPI_Status status;
struct { struct {
double value; double value;

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@ -502,7 +502,7 @@ void MinCG::force_clear()
int MinCG::linemin_backtrack(int n, double *x, double *dir, double eng, int MinCG::linemin_backtrack(int n, double *x, double *dir, double eng,
double maxdist, double &alpha, int &nfunc) double maxdist, double &alpha, int &nfunc)
{ {
int i,m; int i;
// stopping criterion, must be scaled by normflag // stopping criterion, must be scaled by normflag