Fixed bugs in the repulsion kernel, now working correctly with the double precision mode

This commit is contained in:
Trung Nguyen
2021-09-29 11:57:25 -05:00
parent 4be44c386f
commit 01381b7f54
4 changed files with 30 additions and 26 deletions

View File

@ -78,7 +78,7 @@ int BaseAmoebaT::init_atomic(const int nlocal, const int nall,
bool rot = false;
bool vel = false;
_extra_fields = 24; // round up to accomodate quadruples of numtyp values
// rpole 13; uind 3; uinp 3; amtype, amgroup
// rpole 13; uind 3; uinp 3; amtype, amgroup; pval
int success=device->init(*ans,charge,rot,nlocal,nall,maxspecial,vel,_extra_fields);
if (success!=0)
return success;