test_RotatedSPOs_LCAO.cpp File Reference

Include dependency graph for test_RotatedSPOs_LCAO.cpp:

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Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Functions
void	setupParticleSetPool (ParticleSetPool &pp)
void	setupParticleSetPoolBe (ParticleSetPool &pp)
std::string	setupRotationXML (const std::string &rot_angle_up, const std::string &rot_angle_down, const std::string &coeff_up, const std::string &coeff_down)
	TEST_CASE ("Rotated LCAO WF0 zero angle", "[qmcapp]")
	TEST_CASE ("Rotated LCAO WF1", "[qmcapp]")
	TEST_CASE ("Rotated LCAO WF2 with jastrow", "[qmcapp]")
	TEST_CASE ("Rotated LCAO WF1, MO coeff rotated, zero angle", "[qmcapp]")
	TEST_CASE ("Rotated LCAO WF1 MO coeff rotated, half angle", "[qmcapp]")
	TEST_CASE ("Rotated LCAO rotation consistency", "[qmcapp]")
	TEST_CASE ("Rotated LCAO Be single determinant", "[qmcapp]")
	TEST_CASE ("Rotated LCAO Be multi determinant with one determinant", "[qmcapp]")
	TEST_CASE ("Rotated LCAO Be two determinant", "[qmcapp]")

Variables
const std::string	identity_coeff
const std::string	coeff_rot_by_point1
const std::string	coeff_rot_by_point2
const std::string	coeff_rot_by_point05