1 #ifndef MCMD_LINEAR_GENERATOR_H 2 #define MCMD_LINEAR_GENERATOR_H 11 #include "Generator.h" 60 bool attemptPlaceMolecule(
Molecule& molecule,
Generates random configurations for linear molecules.
A set of interacting Molecules enclosed by a Boundary.
Classes used by all simpatico molecular simulations.
Utility classes for scientific computation.
Generates initial configurations for molecules of one species.
A cell list for Atom objects in a periodic system boundary.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
A physical molecule (a set of covalently bonded Atoms).
A Species represents a set of chemically similar molecules.