ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

define OneCoeff struct in my_page.h as HyperOneCoeff to resolve compilation issues

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-09-07 07:57:23 -04:00
parent 2270d86519
commit f8ebcc90fb
4 changed files with 17 additions and 14 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
src/REPLICA/fix_hyper_local.cpp
View File

@ -164,7 +164,7 @@ FixHyperLocal::FixHyperLocal(LAMMPS *lmp, int narg, char **arg) :
maxbondperatom = FCCBONDS;
numcoeff = NULL;
clist = NULL;
cpage = new MyPage<OneCoeff>;
cpage = new MyPage<HyperOneCoeff>;
cpage->init(maxbondperatom,1024*maxbondperatom,1);
// set comm sizes needed by this fix
@ -976,7 +976,7 @@ void FixHyperLocal::build_bond_list(int natom)
memory->sfree(clist);
maxcoeff = atom->nmax;
memory->create(numcoeff,maxcoeff,"hyper/local:numcoeff");
clist = (OneCoeff **) memory->smalloc(maxcoeff*sizeof(OneCoeff *),
clist = (HyperOneCoeff **) memory->smalloc(maxcoeff*sizeof(HyperOneCoeff *),
"hyper/local:clist");
}
@ -1741,7 +1741,7 @@ double FixHyperLocal::memory_usage()
bytes += 2*maxall * sizeof(double); // maxstrain,maxstrain_domain
if (checkbias) bytes += maxall * sizeof(tagint); // biasflag
bytes += maxcoeff * sizeof(int); // numcoeff
bytes += maxcoeff * sizeof(OneCoeff *); // clist
bytes += maxlocal*maxbondperatom * sizeof(OneCoeff); // cpage estimate
bytes += maxcoeff * sizeof(HyperOneCoeff *); // clist
bytes += maxlocal*maxbondperatom * sizeof(HyperOneCoeff); // cpage estimate
return bytes;
}