kpsym_unittest.F File Reference

Go to the source code of this file.

Functions/Subroutines
program	kpsym_unittest
subroutine	check_mesh (x, h, delta, expected, fallback, closed)
	Check mesh reduction and atomic operation consistency without an SCF calculation.

Function/Subroutine Documentation

kpsym_unittest()

program kpsym_unittest

Definition at line 7 of file kpsym_unittest.F.

Here is the call graph for this function:

check_mesh()

subroutine kpsym_unittest::check_mesh	(	real(dp), dimension(:, :), intent(in)	x,
		real(dp), dimension(3, 3), intent(in)	h,
		real(dp), intent(in)	delta,
		integer, intent(in)	expected,
		logical, intent(in)	fallback,
		logical, intent(in)	closed )

Check mesh reduction and atomic operation consistency without an SCF calculation.

Parameters

x	fractional atomic coordinates
h	cell matrix in bohr
delta	K290 symmetry tolerance
expected	expected irreducible k-point count
fallback	expected inversion fallback
closed	whether to check closure of the retained atomic operations

Definition at line 104 of file kpsym_unittest.F.

Here is the call graph for this function:

Here is the caller graph for this function: