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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
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13
src/read_restart.cpp
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@ -140,7 +140,7 @@ void ReadRestart::command(int narg, char **arg)
int nextra = modify->read_restart(fp);
atom->nextra_store = nextra;
atom->extra = memory->create_2d_double_array(n,nextra,"atom:extra");
memory->create(atom->extra,n,nextra,"atom:extra");
// single file:
// nprocs_file = # of chunks in file
@ -271,9 +271,8 @@ void ReadRestart::command(int narg, char **arg)
// destroy temporary fix
if (nextra) {
memory->destroy_2d_double_array(atom->extra);
atom->extra = memory->create_2d_double_array(atom->nmax,nextra,
"atom:extra");
memory->destroy(atom->extra);
memory->create(atom->extra,atom->nmax,nextra,"atom:extra");
int ifix = modify->find_fix("_read_restart");
FixReadRestart *fix = (FixReadRestart *) modify->fix[ifix];
int *count = fix->count;
@ -704,12 +703,12 @@ void ReadRestart::type_arrays()
delete [] mass;
} else if (flag == SHAPE) {
double **shape =
memory->create_2d_double_array(atom->ntypes+1,3,"restart:shape");
double **shape;
memory->create(shape,atom->ntypes+1,3,"restart:shape");
if (me == 0) fread(&shape[1][0],sizeof(double),atom->ntypes*3,fp);
MPI_Bcast(&shape[1][0],atom->ntypes*3,MPI_DOUBLE,0,world);
atom->set_shape(shape);
memory->destroy_2d_double_array(shape);
memory->destroy(shape);
} else if (flag == DIPOLE) {
double *dipole = new double[atom->ntypes+1];