test_OneBodyDensityMatrices.cpp File Reference

Tests for the OneBodyDensityMatrices. More...

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Classes
class	OneBodyDensityMatricesTests< T >

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder
	qmcplusplus::testing
	SpaceGrid refactored for use with batched estimator design NE should be dropped when QMCHamiltonian/SpaceGrid has been deleted.

Typedefs
using	OBDMI = OneBodyDensityMatricesInput

Functions
	TEST_CASE ("OneBodyDensityMatrices::OneBodyDensityMatrices", "[estimators]")
	TEST_CASE ("OneBodyDensityMatrices::generateSamples", "[estimators]")
OneBodyDensityMatrices	original (std::move(obdmi), pset_target.getLattice(), species_set, spomap, pset_target)
	REQUIRE (clone !=nullptr)
	REQUIRE (clone.get() !=&original)
	REQUIRE (dynamic_cast< decltype(&original)>(clone.get()) !=nullptr)
	TEST_CASE ("OneBodyDensityMatrices::accumulate", "[estimators]")
	TEST_CASE ("OneBodyDensityMatrices::evaluateMatrix", "[estimators]")
	TEST_CASE ("OneBodyDensityMatrices::registerAndWrite", "[estimators]")

Variables
constexpr bool	dump_obdm = false
ProjectData	test_project ("test", ProjectData::DriverVersion::BATCH)
auto &	pset_target = *(particle_pool.getParticleSet("e"))
auto &	species_set = pset_target.getSpeciesSet()
auto &	spomap = wavefunction_pool.getWaveFunction("wavefunction")->getSPOMap()
Libxml2Document	doc
bool	okay = doc.parseFromString(Input::xml[Input::valid::VANILLA])
if(!okay) throw std xmlNodePtr	node = doc.getRoot()
OneBodyDensityMatricesInput	obdmi (node)
auto	clone = original.spawnCrowdClone()

Detailed Description

Tests for the OneBodyDensityMatrices.

We can't reason about the state of the global Random in tests. A User can run only some tests, new tests will get added, other tests modified so global Random is called more times or fewer. Use of FakeRandom in unit tests in other tests of this executable can result in ambiguity about which global Random this test will have have access to as well. But several ParticleSet functions use the global Random so we have to avoid the normal sequence of particleset state transforms and set particle positions explicitly.

Definition in file test_OneBodyDensityMatrices.cpp.