11 #ifndef GLOBALMASTEREASY_H
12 #define GLOBALMASTEREASY_H
24 int getAtomID(
const char *segid,
int resid,
const char *aname);
26 int getAtomID(
const char *segid,
int resid,
int index);
40 virtual void calculate();
virtual ~GlobalMasterEasy()
int getPosition(int atomid, Position &position)
double getMass(int atomid)
int getAtomID(const char *segid, int resid, const char *aname)
int addForce(int atomid, Force force)
GlobalMasterEasy(const char *the_config_name)
int getNumAtoms(const char *segid, int resid)
int requestAtom(int atomid)
virtual void easy_init(const char *)
virtual void easy_calc(void)