Public Attributes | |
| bool | PMEOn |
| BigReal | energy |
| BigReal | virial [3][3] |
| int | numForces |
| int | numLssDat |
| QMForce * | force |
| LSSSubsDat * | lssDat |
Detailed Description
Definition at line 185 of file ComputeQM.C.
Member Data Documentation
◆ energy
| BigReal QMForceMsg::energy |
Definition at line 188 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQM::saveResults().
◆ force
| QMForce* QMForceMsg::force |
Definition at line 192 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQM::saveResults().
◆ lssDat
| LSSSubsDat* QMForceMsg::lssDat |
Definition at line 193 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQMMgr::recvForce().
◆ numForces
| int QMForceMsg::numForces |
Definition at line 190 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQM::saveResults().
◆ numLssDat
| int QMForceMsg::numLssDat |
Definition at line 191 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQMMgr::recvForce().
◆ PMEOn
| bool QMForceMsg::PMEOn |
Definition at line 187 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQM::saveResults().
◆ virial
| BigReal QMForceMsg::virial[3][3] |
Definition at line 189 of file ComputeQM.C.
Referenced by ComputeQMMgr::procQMRes(), and ComputeQM::saveResults().
The documentation for this class was generated from the following file:
