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frieschneider committed Oct 29, 2024
1 parent 0140ffa commit 768cf35
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions libadcc/tests/HFSolutionMock.hh
Original file line number Diff line number Diff line change
Expand Up @@ -37,11 +37,11 @@ struct HFSolutionMock : public HartreeFockSolution_i {
size_t exposed_n_bas = 7;
std::vector<size_t> exposed_occupation = {1, 1, 1, 1, 1, 0, 0, 1, 1, 1, 1, 1, 0, 0};
std::vector<double> exposed_orben = {
-2.0233397420161026e+01, -1.2657145550718050e+00, -6.2926710042596645e-01,
-4.4166801612481776e-01, -3.8764506899048456e-01, 6.0283939648336604e-01,
7.6591832861501685e-01, -2.0233397420161026e+01, -1.2657145550718050e+00,
-6.2926710042596645e-01, -4.4166801612481776e-01, -3.8764506899048456e-01,
6.0283939648336604e-01, 7.6591832861501685e-01};
-2.0233397420161026e+01, -1.2657145550718050e+00, -6.2926710042596645e-01,
-4.4166801612481776e-01, -3.8764506899048456e-01, 6.0283939648336604e-01,
7.6591832861501685e-01, -2.0233397420161026e+01, -1.2657145550718050e+00,
-6.2926710042596645e-01, -4.4166801612481776e-01, -3.8764506899048456e-01,
6.0283939648336604e-01, 7.6591832861501685e-01};

size_t n_orbs_alpha() const override { return exposed_n_orbs_alpha; }
real_type conv_tol() const override { return 1e-10; }
Expand All @@ -50,12 +50,12 @@ struct HFSolutionMock : public HartreeFockSolution_i {

size_t n_bas() const override { return exposed_n_bas; }
void nuclear_multipole(size_t /*order*/, std::vector<scalar_type> /*gauge_origin*/,
scalar_type* /*buffer*/, size_t /*size*/) const override {
scalar_type* /*buffer*/, size_t /*size*/) const override {
throw not_implemented_error("Not implemented.");
}
std::vector<double> determine_gauge_origin(std::string /*gauge_origin*/)
const override {
throw not_implemented_error("Not implemented.");
std::vector<double> determine_gauge_origin(
std::string /*gauge_origin*/) const override {
throw not_implemented_error("Not implemented.");
}
real_type energy_scf() const override { return 0; }
void occupation_f(scalar_type* buffer, size_t size) const override {
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