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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-10-04 17:57:04 +00:00
parent ab2a54ab6a
commit aef3f32236
145 changed files with 401 additions and 442 deletions
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6
src/pair_table.cpp
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@ -973,14 +973,14 @@ void 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_long(double *p_cut_coul)
void *PairTable::extract(char *str)
{
if (strcmp(str,"cut_coul") != 0) return NULL;
if (ntables == 0) error->all("All pair coeffs are not set");
double cut_coul = tables[0].cut;
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");
*p_cut_coul = cut_coul;
return &cut_coul;
}