#include <NamdTypes.h>
Inheritance diagram for InputAtom:
Public Member Functions | |
| int32 | operator< (const InputAtom &a) const |
Public Attributes | |
| bool | isValid |
| int16 | isGP |
| int16 | isMP |
| int32 | hydList |
| int32 | GPID |
| int32 | MPID |
 Public Attributes inherited from FullAtom | |
| Velocity | velocity |
| Position | fixedPosition |
| double | recipMass |
| Mass | mass |
| union { | |
| Real langevinParam | |
| }; | |
| union { | |
| PerAtomFlags flags | |
| int32 status | |
| Atom status bit fields defined in structures.h. More... | |
| }; | |
| Transform | transform |
| int32 | migrationGroupSize |
| Real | rigidBondLength |
| Public Attributes inherited from CompAtom | |
| Position | position |
| Charge | charge |
| int16 | vdwType |
| uint8 | partition |
| uint8 | nonbondedGroupSize: 3 |
| uint8 | hydrogenGroupSize: 4 |
| uint8 | isWater: 1 |
| Public Attributes inherited from CompAtomExt | |
| DispCoef | dispcoef |
| int32 | sortOrder |
| uint32 | id: 30 |
| uint32 | atomFixed: 1 |
| uint32 | groupFixed: 1 |
Detailed Description
Definition at line 253 of file NamdTypes.h.
Member Function Documentation
◆ operator<()
Member Data Documentation
◆ GPID
| int32 InputAtom::GPID |
Definition at line 258 of file NamdTypes.h.
◆ hydList
| int32 InputAtom::hydList |
Definition at line 257 of file NamdTypes.h.
Referenced by operator<().
◆ isGP
| int16 InputAtom::isGP |
Definition at line 255 of file NamdTypes.h.
Referenced by ParallelIOMgr::integrateMigratedAtoms().
◆ isMP
| int16 InputAtom::isMP |
Definition at line 256 of file NamdTypes.h.
Referenced by ParallelIOMgr::calcAtomsInEachPatch().
◆ isValid
| bool InputAtom::isValid |
Definition at line 254 of file NamdTypes.h.
Referenced by ParallelIOMgr::calcAtomsInEachPatch(), and ParallelIOMgr::integrateMigratedAtoms().
◆ MPID
| int32 InputAtom::MPID |
Definition at line 259 of file NamdTypes.h.
The documentation for this struct was generated from the following file:
