Skip to content

Commit

Permalink
fix: fix the MSVC OpenMP compilation of colvarbias_opes.cpp again
Browse files Browse the repository at this point in the history
  • Loading branch information
HanatoK authored and giacomofiorin committed Dec 6, 2024
1 parent ee4311f commit 04d20ab
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/colvarbias_opes.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -1915,13 +1915,13 @@ void colvarbias_opes::updateNlist(const std::vector<cvm::real>& center) {
{
std::vector<size_t> private_nlist_index;
#pragma omp for nowait
for (size_t k = 0; k < m_kernels.size(); ++k) {
for (int k = 0; k < static_cast<int>(m_kernels.size()); ++k) {
cvm::real norm2_k = 0;
for (size_t i = 0; i < num_variables(); ++i) {
for (int i = 0; i < static_cast<int>(num_variables()); ++i) {
norm2_k += variables(i)->dist2(m_nlist_center[i], m_kernels[k].m_center[i]) / (m_kernels[k].m_sigma[i] * m_kernels[k].m_sigma[i]);
}
if (norm2_k <= m_nlist_param[0] * m_cutoff2) {
private_nlist_index.push_back(k);
private_nlist_index.push_back(static_cast<size_t>(k));
}
}
#pragma omp critical
Expand Down

0 comments on commit 04d20ab

Please sign in to comment.