---

Timestep.h File Reference

#include "ResizeArray.h"
#include "Matrix4.h"
#include "QMTimestep.h"

Go to the source code of this file.

Compounds
class	Timestep
	Timesteps store coordinates, energies, etc. for one trajectory timestep. More...
Enumerations
enum	{   TSE_BOND, TSE_ANGLE, TSE_DIHE, TSE_IMPR,   TSE_VDW, TSE_COUL, TSE_HBOND, TSE_KE,   TSE_PE, TSE_TEMP, TSE_TOTAL, TSE_VOLUME,   TSE_PRESSURE, TSE_EFIELD, TSE_UREY_BRADLEY, TSE_RESTRAINT,   TSENERGIES }

---

Enumeration Type Documentation

anonymous enum

Enumeration values: TSE_BOND  TSE_ANGLE  TSE_DIHE  TSE_IMPR  TSE_VDW  TSE_COUL  TSE_HBOND  TSE_KE  TSE_PE  TSE_TEMP  TSE_TOTAL  TSE_VOLUME  TSE_PRESSURE  TSE_EFIELD  TSE_UREY_BRADLEY  TSE_RESTRAINT  TSENERGIES  Definition at line 37 of file Timestep.h.

---