class DensityFittingAmplitudeLookupTest : public ::testing::Test
{
- public:
- DensityFittingAmplitudeLookupTest()
- {
- atoms_.nr = numberOfAtoms_;
- atoms_.massT = masses_.data();
- atoms_.chargeA = charges_.data();
- }
- protected:
- int numberOfAtoms_ = 3;
- std::vector<real> masses_ = {2, 3, 4};
- std::vector<real> charges_ = {20, 30, 40};
- t_mdatoms atoms_ = {};
- std::vector<int> lookupIndices_ = { 1, 2 };
+public:
+ DensityFittingAmplitudeLookupTest()
+ {
+ atoms_.nr = numberOfAtoms_;
+ atoms_.massT = masses_.data();
+ atoms_.chargeA = charges_.data();
+ }
+
+protected:
+ int numberOfAtoms_ = 3;
+ std::vector<real> masses_ = { 2, 3, 4 };
+ std::vector<real> charges_ = { 20, 30, 40 };
+ t_mdatoms atoms_ = {};
+ std::vector<int> lookupIndices_ = { 1, 2 };
};
TEST_F(DensityFittingAmplitudeLookupTest, Unity)