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Renaming
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ahurta92 committed Jul 1, 2024
1 parent ca24002 commit 72e54ce
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions src/apps/molresponse/FrequencyResponse.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -1154,8 +1154,8 @@ auto QuadraticResponse::dipole_perturbation(World &world, const X_space &left, c
auto num_states = left.num_states();
MADNESS_ASSERT(num_states == right.num_states());

std::vector<int> case_1_indices{0, 1, 2, 1}; // x y z y
std::vector<int> case_2_indices{0, 1, 2, 2}; // x y z z
std::vector<int> index_B{0, 1, 2, 1}; // x y z y
std::vector<int> index_C{0, 1, 2, 2}; // x y z z
auto VB = X_space(world, left.num_states(), right.num_orbitals());
auto VC = X_space(world, left.num_states(), right.num_orbitals());

Expand All @@ -1174,11 +1174,11 @@ auto QuadraticResponse::dipole_perturbation(World &world, const X_space &left, c
for (int i = 0; i < num_states; i++)
{

VB.x[i] = mul(world, dipole_vectors[case_1_indices[i]], left.x[i], false);
VB.y[i] = mul(world, dipole_vectors[case_1_indices[i]], left.y[i], false);
VB.x[i] = mul(world, dipole_vectors[index_B[i]], left.x[i], false);
VB.y[i] = mul(world, dipole_vectors[index_B[i]], left.y[i], false);

VC.x[i] = mul(world, dipole_vectors[case_2_indices[i]], right.x[i], false);
VC.y[i] = mul(world, dipole_vectors[case_2_indices[i]], right.y[i], false);
VC.x[i] = mul(world, dipole_vectors[index_C[i]], right.x[i], false);
VC.y[i] = mul(world, dipole_vectors[index_C[i]], right.y[i], false);
}

VB.truncate();
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