8 #include "ConfigIoFactory.h" 11 #include "McConfigIo.h" 12 #include "MdConfigIo.h" 13 #include "DdMdConfigIo.h" 14 #include "LammpsConfigIo.h" 15 #include "SmpConfigIo.h" 40 if (className ==
"McConfigIo") {
43 if (className ==
"MdConfigIo") {
46 if (className ==
"LammpsConfigIo") {
49 if (className ==
"DdMdConfigIo") {
52 if (className ==
"DdMdConfigIo_Molecule") {
53 bool hasMolecules =
true;
56 if (className ==
"SmpConfigIo") {
ConfigIo for Lammps data files.
ConfigIo for DdMd data files.
A set of interacting Molecules enclosed by a Boundary.
Common configuration file format for simpatico.
ConfigIo * trySubfactories(const std::string &className) const
Search through subfactories for match.
Utility classes for scientific computation.
ConfigIoFactory(System &system)
Constructor.
ConfigIo * factory(const std::string &speciesName) const
Method to create any species supplied with Simpatico.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
ConfigIo for MD simulations (includes velocities).
ConfigIo for MC simulations (no atom velocities).
System configuration file reader and writer.