|
| file | absOrientation.hpp [code] |
| |
| file | bond.hpp [code] |
| | File for bond-related analyses (hydrogen bonds, bonded atoms for data file write-outs etc.).
|
| |
| file | bop.hpp [code] |
| | File for the bond order parameter analysis.
|
| |
| file | bulkTUM.hpp [code] |
| | File containing functions used specific to bulk topological unit matching (TUM) criterion.
|
| |
| file | cage.hpp [code] |
| | File for cage types for topological network criteria.
|
| |
| file | cluster.hpp [code] |
| | File for the bond order parameter analysis.
|
| |
| file | franzblau.hpp [code] |
| | File for generating shortest-path rings according to the Franzblau algorithm.
|
| |
| file | generic.hpp [code] |
| | File for containing generic or common functions.
|
| |
| file | mol_sys.hpp [code] |
| | The main molecular system handler.
|
| |
| file | neighbours.hpp [code] |
| | Header file for neighbour list generation.
|
| |
| file | opt_parser.h [code] |
| |
| file | order_parameter.hpp [code] |
| |
| file | pntCorrespondence.hpp [code] |
| |
| file | rdf2d.hpp [code] |
| | File containing functions used to calculate the in-plane radial distribution functions.
|
| |
| file | ring.hpp [code] |
| | File containing common functions used by bulk and confined topological network critera.
|
| |
| file | seams_input.hpp [code] |
| | File for functions that read in files).
|
| |
| file | seams_output.hpp [code] |
| |
| file | selection.hpp [code] |
| | File containing functions used to define 'selections' in a given range, using ring information.
|
| |
| file | shapeMatch.hpp [code] |
| |
| file | topo_bulk.hpp [code] |
| | File containing functions used specific to bulk topological network critera.
|
| |
| file | topo_one_dim.hpp [code] |
| | File containing functions used specific to quasi-one-dimensional topological network critera (the prism identification scheme).
|
| |
| file | topo_two_dim.hpp [code] |
| |
