unittest_Libra-X.Unittest_Force_orthogonal Class Reference

UNIT TEST. More...

Inheritance diagram for unittest_Libra-X.Unittest_Force_orthogonal:

Public Member Functions
def	test_force_orthogonal

Static Public Attributes
tuple	smat = CMATRIX(2,2)
	This function tests if firce_orthogonal giving desired output. More...
tuple	cmt = CMATRIX(2,2)
list	all_grads = []
list	grads = []
tuple	g = VECTOR(0.1+i*0.01,-0.2+i*0.01,0.3+i*0.01)

Detailed Description

UNIT TEST.

Member Data Documentation

tuple unittest_Libra-X.Unittest_Force_orthogonal.smat = CMATRIX(2,2)

static

This function tests if firce_orthogonal giving desired output.

Here we input arbitrary overlap matrix, orthogonal transformation matrix, and atomic gradients and resulting output is tested against desired value.

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The documentation for this class was generated from the following file:

• /home/travis/build/Quantum-Dynamics-Hub/Libra-X/src/unittest_Libra-X.py