Skip to content

Commit

Permalink
renamed shell_pivoted_cholesky() to pivoted_cholesky_in_L()
Browse files Browse the repository at this point in the history
  • Loading branch information
kshitij-05 committed Feb 14, 2024
1 parent f8d117b commit 3f0f729
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions include/libint2/dfbs_generator.h
Original file line number Diff line number Diff line change
Expand Up @@ -182,7 +182,7 @@ inline std::vector<std::vector<Shell>> split_by_L(
/// @param cholesky_threshold threshold for choosing a product function via
/// pivoted Cholesky decomposition
/// @return reduced set of product functions
inline std::vector<Shell> shell_pivoted_cholesky(
inline std::vector<Shell> pivoted_cholesky_in_L(
const std::vector<Shell> &shells, const double cholesky_threshold) {
const auto n = shells.size(); // number of shells
std::vector<size_t>
Expand Down Expand Up @@ -287,7 +287,7 @@ class DFBasisSetGenerator {
for (size_t i = 0; i < candidate_splitted_in_L.size(); ++i) {
std::vector<Shell> reduced_shells_L;
if (candidate_splitted_in_L[i].size() > 1)
reduced_shells_L = detail::shell_pivoted_cholesky(
reduced_shells_L = detail::pivoted_cholesky_in_L(
candidate_splitted_in_L[i], cholesky_threshold_);
else
reduced_shells_L = candidate_splitted_in_L[i];
Expand Down

0 comments on commit 3f0f729

Please sign in to comment.