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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7620 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-01-31 21:20:04 +00:00
parent 26b74167bf
commit 89ba8f469d
4 changed files with 161 additions and 96 deletions
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27
src/force.cpp
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@ -171,11 +171,10 @@ Pair *Force::new_pair(const char *style, const char *suffix, int &sflag)
}
/* ----------------------------------------------------------------------
return ptr to Pair class if matches word or to matching hybrid sub-class
return ptr to Pair class if matches word or matches hybrid sub-style
if exact, then style name must be exact match to word
if not exact, style name must contain word
return NULL if no match
return NULL if not exact and multiple hybrid sub-styles match
return NULL if no match or multiple sub-styles match
------------------------------------------------------------------------- */
Pair *Force::pair_match(const char *word, int exact)
@ -188,28 +187,24 @@ Pair *Force::pair_match(const char *word, int exact)
else if (strstr(pair_style,"hybrid/overlay")) {
PairHybridOverlay *hybrid = (PairHybridOverlay *) pair;
count = 0;
for (int i = 0; i < hybrid->nstyles; i++) {
if (exact && strcmp(hybrid->keywords[i],word) == 0)
return hybrid->styles[i];
else if (!exact && strstr(hybrid->keywords[i],word)) {
for (int i = 0; i < hybrid->nstyles; i++)
if ((exact && strcmp(hybrid->keywords[i],word) == 0) ||
(!exact && strstr(hybrid->keywords[i],word))) {
iwhich = i;
count++;
}
}
if (!exact && count == 1) return hybrid->styles[iwhich];
if (count == 1) return hybrid->styles[iwhich];
} else if (strstr(pair_style,"hybrid")) {
PairHybrid *hybrid = (PairHybrid *) pair;
count = 0;
for (int i = 0; i < hybrid->nstyles; i++) {
if (exact && strcmp(hybrid->keywords[i],word) == 0)
return hybrid->styles[i];
if (!exact && strstr(hybrid->keywords[i],word)) {
for (int i = 0; i < hybrid->nstyles; i++)
if ((exact && strcmp(hybrid->keywords[i],word) == 0) ||
(!exact && strstr(hybrid->keywords[i],word))) {
iwhich = i;
count++;
}
}
if (!exact && count == 1) return hybrid->styles[iwhich];
if (count == 1) return hybrid->styles[iwhich];
}
return NULL;