#include <NamdTypes.h>
Inheritance diagram for InputAtom:
Public Member Functions | |
| int | operator< (const InputAtom &a) const |
Public Attributes | |
| bool | isValid |
| short | isGP |
| short | isMP |
| int | hydList |
| int | GPID |
| int | MPID |
 Public Attributes inherited from FullAtom | |
| Velocity | velocity |
| Position | fixedPosition |
| double | recipMass |
| Mass | mass |
| union { | |
| Real langevinParam | |
| }; | |
| int32 | status |
| Transform | transform |
| int | migrationGroupSize |
| Real | rigidBondLength |
| Public Attributes inherited from CompAtom | |
| Position | position |
| Charge | charge |
| short | vdwType |
| unsigned char | partition |
| unsigned int | nonbondedGroupSize: 3 |
| unsigned int | hydrogenGroupSize: 4 |
| unsigned int | isWater: 1 |
| Public Attributes inherited from CompAtomExt | |
| int | sortOrder |
| int | id: 30 |
| unsigned int | atomFixed: 1 |
| unsigned int | groupFixed: 1 |
Detailed Description
Definition at line 140 of file NamdTypes.h.
Member Function Documentation
|
inline |
Member Data Documentation
| int InputAtom::GPID |
Definition at line 145 of file NamdTypes.h.
| int InputAtom::hydList |
Definition at line 144 of file NamdTypes.h.
Referenced by operator<().
| short InputAtom::isGP |
Definition at line 142 of file NamdTypes.h.
Referenced by ParallelIOMgr::integrateMigratedAtoms().
| short InputAtom::isMP |
Definition at line 143 of file NamdTypes.h.
Referenced by ParallelIOMgr::calcAtomsInEachPatch().
| bool InputAtom::isValid |
Definition at line 141 of file NamdTypes.h.
Referenced by ParallelIOMgr::calcAtomsInEachPatch(), and ParallelIOMgr::integrateMigratedAtoms().
| int InputAtom::MPID |
Definition at line 146 of file NamdTypes.h.
The documentation for this struct was generated from the following file:
