topology_snapshot.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	topology_snapshot::snapshot_type

Modules
module	topology_snapshot
	Reader and physical moving-basis links for version-1 topology snapshots.

Functions/Subroutines
subroutine, public	topology_snapshot::read_snapshot (filename, point, state)
	Read a single point, retaining only its states; reject malformed/truncated exports.
subroutine, public	topology_snapshot::snapshot_overlap (a, b, ka, kb, overlap)
	Apply screened Gaussian cross-geometry operator by atom blocks, without a dense AO matrix.
subroutine, public	topology_snapshot::check_snapshot (a, metric_tol, gap_tol, metric_error, gap)
	Check AO-metric normalization and separation at every selected/excluded boundary.
subroutine, public	topology_snapshot::check_snapshot_seam (a, b, permutation, tolerance)
	Check explicitly prescribed atom permutation, periodic translations and basis at a seam.