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colvaratoms.h File Reference

#include "colvarmodule.h"
#include "colvarproxy.h"
#include "colvarparse.h"
#include "colvardeps.h"

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Compounds

class colvarmodule::atom

\brief Stores numeric id, mass and all mutable data for an atom, mostly used by a colvar::cvc This class may be used to keep atomic data such as id, mass, position and collective variable derivatives) altogether. There may be multiple instances with identical numeric id, all acting independently: forces communicated through these instances will be summed together. More...

class colvarmodule::atom_group

\brief Group of atom objects, mostly used by a colvar::cvc object to gather all atomic data. More...

Generated on Mon Apr 15 02:46:24 2024 for VMD (current) by

Compounds
class	colvarmodule::atom
	\brief Stores numeric id, mass and all mutable data for an atom, mostly used by a colvar::cvc This class may be used to keep atomic data such as id, mass, position and collective variable derivatives) altogether. There may be multiple instances with identical numeric id, all acting independently: forces communicated through these instances will be summed together. More...
class	colvarmodule::atom_group
	\brief Group of atom objects, mostly used by a colvar::cvc object to gather all atomic data. More...