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Commit 04d20ab

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HanatoKgiacomofiorin
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fix: fix the MSVC OpenMP compilation of colvarbias_opes.cpp again
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src/colvarbias_opes.cpp

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Original file line numberDiff line numberDiff line change
@@ -1915,13 +1915,13 @@ void colvarbias_opes::updateNlist(const std::vector<cvm::real>& center) {
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{
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std::vector<size_t> private_nlist_index;
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#pragma omp for nowait
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for (size_t k = 0; k < m_kernels.size(); ++k) {
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for (int k = 0; k < static_cast<int>(m_kernels.size()); ++k) {
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cvm::real norm2_k = 0;
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for (size_t i = 0; i < num_variables(); ++i) {
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for (int i = 0; i < static_cast<int>(num_variables()); ++i) {
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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]);
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}
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if (norm2_k <= m_nlist_param[0] * m_cutoff2) {
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private_nlist_index.push_back(k);
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private_nlist_index.push_back(static_cast<size_t>(k));
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}
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}
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#pragma omp critical

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