test_PairCorrEstimator.cpp File Reference

Include dependency graph for test_PairCorrEstimator.cpp:

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Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Functions
	TEST_CASE ("Pair Correlation", "[hamiltonian]")
	TEST_CASE ("Pair Correlation Pair Index", "[hamiltonian]")

Variables
const char *	lat_xml
const char *	pset_xml
const char *	gofr_xml = R"(<estimator type="gofr" name="gofr" rmax="2.0" num_bin="99" />)"

Variable Documentation

gofr_xml

const char* gofr_xml = R"(<estimator type="gofr" name="gofr" rmax="2.0" num_bin="99" />)"

Definition at line 62 of file test_PairCorrEstimator.cpp.

Referenced by qmcplusplus::TEST_CASE().

lat_xml

const char* lat_xml

Initial value:

= R"(<simulationcell>
                        <parameter name="lattice" units="bohr">
                          2.0 0.0 0.0
                          0.0 2.0 0.0
                          0.0 0.0 2.0
                        </parameter>
                        <parameter name="bconds">
                           p p p
                        </parameter>
                        <parameter name="LR_dim_cutoff" >     6  </parameter>
                       </simulationcell>)"

Definition at line 37 of file test_PairCorrEstimator.cpp.

Referenced by qmcplusplus::TEST_CASE().

pset_xml

const char* pset_xml

Initial value:

= R"(<particleset name="e" random="yes">
                          <group name="u" size="4" mass="1.0">
                            <parameter name="charge" >   -1  </parameter>
                            <parameter name="mass"   >  1.0  </parameter>
                          </group>
                          <group name="d" size="4" mass="1.0">
                            <parameter name="charge" >   -1  </parameter>
                            <parameter name="mass"   >  1.0  </parameter>
                          </group>
                        </particleset>)"

Definition at line 50 of file test_PairCorrEstimator.cpp.

Referenced by qmcplusplus::TEST_CASE().