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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-09-20 18:04:18 +00:00
parent fe73c3e4e3
commit 26b9b955a9
1 changed files with 6 additions and 3 deletions
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9
src/fix_adapt.cpp
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@ -321,7 +321,8 @@ void FixAdapt::init()
delete[] psuffix; delete[] psuffix;
} }
if (ad->pair == NULL) ad->pair = force->pair_match(pstyle,1,nsub); if (ad->pair == NULL) ad->pair = force->pair_match(pstyle,1,nsub);
if (ad->pair == NULL) error->all(FLERR,"Fix adapt pair style does not exist"); if (ad->pair == NULL)
error->all(FLERR,"Fix adapt pair style does not exist");
void *ptr = ad->pair->extract(ad->pparam,ad->pdim); void *ptr = ad->pair->extract(ad->pparam,ad->pdim);
if (ptr == NULL) if (ptr == NULL)
@ -329,11 +330,12 @@ void FixAdapt::init()
// for pair styles only parameters that are 2-d arrays in atom types or // for pair styles only parameters that are 2-d arrays in atom types or
// scalars are supported // scalars are supported
if (ad->pdim != 2 && ad->pdim != 0) if (ad->pdim != 2 && ad->pdim != 0)
error->all(FLERR,"Fix adapt pair style param is not compatible"); error->all(FLERR,"Fix adapt pair style param is not compatible");
if(ad->pdim == 2) ad->array = (double **) ptr; if (ad->pdim == 2) ad->array = (double **) ptr;
if(ad->pdim == 0) ad->scalar = (double *) ptr; if (ad->pdim == 0) ad->scalar = (double *) ptr;
// if pair hybrid, test that ilo,ihi,jlo,jhi are valid for sub-style // if pair hybrid, test that ilo,ihi,jlo,jhi are valid for sub-style
@ -367,6 +369,7 @@ void FixAdapt::init()
} }
// make copy of original pair array values // make copy of original pair array values
for (int m = 0; m < nadapt; m++) { for (int m = 0; m < nadapt; m++) {
Adapt *ad = &adapt[m]; Adapt *ad = &adapt[m];
if (ad->which == PAIR && ad->pdim == 2) { if (ad->which == PAIR && ad->pdim == 2) {