Colvars proxy classes. More...
#include <functional>#include "colvarmodule.h"#include "colvartypes.h"#include "colvarproxy_io.h"#include "colvarproxy_replicas.h"#include "colvarproxy_system.h"#include "colvarproxy_tcl.h"#include "colvarproxy_volmaps.h"
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Classes | |
| class | colvarproxy_atoms |
| Container of atomic data for processing by Colvars. More... | |
| class | colvarproxy_atom_groups |
| Container of atom group data (allow collection of aggregated atomic data) More... | |
| class | colvarproxy_smp |
| Methods for SMP parallelization. More... | |
| class | colvarproxy_script |
| Methods for scripting language interface (Tcl or Python) More... | |
| class | colvarproxy |
Detailed Description
Colvars proxy classes.
This file declares the class for the object responsible for interfacing Colvars with other codes (MD engines, VMD, Python). The colvarproxy class is a derivative of multiple classes, each devoted to a specific task (e.g. colvarproxy_atoms to access data for individual atoms).
To interface to a new MD engine, the simplest solution is to derive a new class from colvarproxy. Currently implemented are: colvarproxy_lammps,, colvarproxy_namd,, colvarproxy_vmd.
