test_isdf.F90 File Reference

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Modules
module	test_isdf_oct_m
	Integration tests for ISDF.

Functions/Subroutines
subroutine, public	test_isdf_oct_m::test_isdf (namespace, serial)
	Set up an electron system, compute some optimal centroid positions, and use these to build a set of ISDF vectors for molecular systems. More...
subroutine	test_isdf_oct_m::test_isdf_get_interpolation_points (namespace, isdf_options, sys, centroids)
	Initialise a system and centroids for molecular ISDF application testing. More...