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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14519 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-01-29 16:44:50 +00:00
parent ce471ffcdb
commit dd2d454fc4
5 changed files with 20 additions and 19 deletions
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12
src/fix_store.cpp
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@ -23,7 +23,7 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum{GLOBAL,PERATOM};
enum{UNKNOWN,GLOBAL,PERATOM};
/* ---------------------------------------------------------------------- */
@ -35,9 +35,12 @@ FixStore::FixStore(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
// syntax: id group style global nrow ncol
// Nrow by Ncol array of global values
// Ncol = 1 is vector, Nrow > 1 is array
// syntax: id group style peratom 0/1 nvalue
// syntax: id group style peratom 0/1 nvalues
// 0/1 flag = not-store or store peratom values in restart file
// nvalue = # of peratom values, N = 1 is vector, N > 1 is array
// nvalues = # of peratom values, N = 1 is vector, N > 1 is array
nvalues = vecflag = 0;
flavor = UNKNOWN;
if (strcmp(arg[3],"global") == 0) flavor = GLOBAL;
else if (strcmp(arg[3],"peratom") == 0) flavor = PERATOM;
@ -102,7 +105,6 @@ FixStore::FixStore(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
for (int j = 0; j < nvalues; j++)
astore[i][j] = 0.0;
}
}
/* ---------------------------------------------------------------------- */
@ -317,7 +319,7 @@ int FixStore::size_restart(int nlocal)
double FixStore::memory_usage()
{
double bytes;
double bytes = 0.0;
if (flavor == GLOBAL) bytes += nrow*ncol * sizeof(double);
if (flavor == PERATOM) bytes += atom->nmax*nvalues * sizeof(double);
return bytes;