Configuration Block
Describes the contents of a representative system, and how to generate it
4. Input File Reference
Dissolve’s main input file explained
The main input file used by Dissolve is a free-format, human-readable file with arbitrary name and file extension, although all example files follow the rule of using .txt as the extension (e.g. my-input.txt).
Layer Block
Defines a sequence of modules
Master Block
Define frequently-used intramolecular parameters for species
Module Block
Creates and sets up a Module
PairPotentials Block
Defines interatomic pair potentials and cutoff information
Site Block
Specifies a reference site on a species for use by calculation / analysis routines
Species Block
Defines a single molecular/atomic species