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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5104 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-22 21:26:44 +00:00
parent 8889d8dfb9
commit 85f070b25b
12 changed files with 303 additions and 103 deletions
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3
src/pair_table.cpp
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@ -962,7 +962,7 @@ double PairTable::single(int i, int j, int itype, int jtype, double rsq,
no way to know which tables are active since pair::init() not yet called
------------------------------------------------------------------------- */
void *PairTable::extract(char *str)
void *PairTable::extract(char *str, int &dim)
{
if (strcmp(str,"cut_coul") != 0) return NULL;
if (ntables == 0) error->all("All pair coeffs are not set");
@ -971,5 +971,6 @@ void *PairTable::extract(char *str)
for (int m = 1; m < ntables; m++)
if (tables[m].cut != cut_coul)
error->all("Pair table cutoffs must all be equal to use with KSpace");
dim = 0;
return &tables[0].cut;
}