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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12998 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-01-28 17:19:47 +00:00
parent fdd6a493e1
commit 48cd742b52
3 changed files with 7 additions and 2 deletions
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1
src/fix.cpp
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@ -69,6 +69,7 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
scalar_flag = vector_flag = array_flag = 0;
peratom_flag = local_flag = 0;
size_array_rows_variable = 0;
comm_forward = comm_reverse = comm_border = 0;
restart_reset = 0;

1
src/fix.h
View File

@ -57,6 +57,7 @@ class Fix : protected Pointers {
int size_vector; // length of global vector
int size_array_rows; // rows in global array
int size_array_cols; // columns in global array
int size_array_rows_variable; // 1 if row count is unknown in advance
int global_freq; // frequency s/v data is available at
int peratom_flag; // 0/1 if per-atom data is stored

7
src/thermo.cpp
View File

@ -893,8 +893,11 @@ void Thermo::parse_fields(char *str)
if (argindex1[nfield] > 0 && argindex2[nfield] > 0) {
if (modify->fix[n]->array_flag == 0)
error->all(FLERR,"Thermo fix does not compute array");
if (argindex1[nfield] > modify->fix[n]->size_array_rows ||
argindex2[nfield] > modify->fix[n]->size_array_cols)
if (argindex1[nfield] > modify->fix[n]->size_array_rows) {
if (modify->fix[n]->size_array_rows_variable == 0)
error->all(FLERR,"Thermo fix array is accessed out-of-range");
}
if (argindex2[nfield] > modify->fix[n]->size_array_cols)
error->all(FLERR,"Thermo fix array is accessed out-of-range");
}