Skip to content
Merged
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions source/source_hamilt/module_vdw/vdwd2.h
Original file line number Diff line number Diff line change
Expand Up @@ -36,9 +36,9 @@ class Vdwd2 : public Vdw
int yidx = para_.period().y / 2;
int zidx = para_.period().z / 2;

for (int it1 = 0; it1 != ucell_.ntype; ++it1)
for (int it1 = 0; it1 < ucell_.ntype; ++it1)
{
for (int it2 = 0; it2 != ucell_.ntype; ++it2)
for (int it2 = 0; it2 < ucell_.ntype; ++it2)
{
const double C6_product
= sqrt(para_.C6().at(ucell_.atoms[it1].ncpp.psd) * para_.C6().at(ucell_.atoms[it2].ncpp.psd))
Expand Down
Loading