Gromacs
2020
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This is the complete list of members for gmx::ModularSimulator, including all inherited members.
constr | gmx::ISimulator | protected |
cr | gmx::ISimulator | protected |
deform | gmx::ISimulator | protected |
doRerun | gmx::ISimulator | protected |
ekind | gmx::ISimulator | protected |
enerd | gmx::ISimulator | protected |
enforcedRotation | gmx::ISimulator | protected |
fcd | gmx::ISimulator | protected |
fnm | gmx::ISimulator | protected |
fplog | gmx::ISimulator | protected |
fr | gmx::ISimulator | protected |
imdSession | gmx::ISimulator | protected |
inputrec | gmx::ISimulator | protected |
ISimulator(FILE *fplog, t_commrec *cr, const gmx_multisim_t *ms, const MDLogger &mdlog, int nfile, const t_filenm *fnm, const gmx_output_env_t *oenv, const MdrunOptions &mdrunOptions, StartingBehavior startingBehavior, gmx_vsite_t *vsite, Constraints *constr, gmx_enfrot *enforcedRotation, BoxDeformation *deform, IMDOutputProvider *outputProvider, const MdModulesNotifier &mdModulesNotifier, t_inputrec *inputrec, ImdSession *imdSession, pull_t *pull_work, t_swap *swap, gmx_mtop_t *top_global, t_fcdata *fcd, t_state *state_global, ObservablesHistory *observablesHistory, MDAtoms *mdAtoms, t_nrnb *nrnb, gmx_wallcycle *wcycle, t_forcerec *fr, gmx_enerdata_t *enerd, gmx_ekindata_t *ekind, MdrunScheduleWorkload *runScheduleWork, const ReplicaExchangeParameters &replExParams, gmx_membed_t *membed, gmx_walltime_accounting *walltime_accounting, std::unique_ptr< StopHandlerBuilder > stopHandlerBuilder, bool doRerun) | gmx::ISimulator | inline |
isInputCompatible(bool exitOnFailure, const t_inputrec *inputrec, bool doRerun, const gmx_vsite_t *vsite, const gmx_multisim_t *ms, const ReplicaExchangeParameters &replExParams, const t_fcdata *fcd, int nfile, const t_filenm *fnm, ObservablesHistory *observablesHistory, const gmx_membed_t *membed) | gmx::ModularSimulator | static |
mdAtoms | gmx::ISimulator | protected |
mdlog | gmx::ISimulator | protected |
mdModulesNotifier | gmx::ISimulator | protected |
mdrunOptions | gmx::ISimulator | protected |
membed | gmx::ISimulator | protected |
ms | gmx::ISimulator | protected |
nfile | gmx::ISimulator | protected |
nrnb | gmx::ISimulator | protected |
observablesHistory | gmx::ISimulator | protected |
oenv | gmx::ISimulator | protected |
outputProvider | gmx::ISimulator | protected |
pull_work | gmx::ISimulator | protected |
replExParams | gmx::ISimulator | protected |
run() override | gmx::ModularSimulator | virtual |
runScheduleWork | gmx::ISimulator | protected |
SimulatorBuilder (defined in gmx::ModularSimulator) | gmx::ModularSimulator | friend |
startingBehavior | gmx::ISimulator | protected |
state_global | gmx::ISimulator | protected |
stopHandlerBuilder | gmx::ISimulator | protected |
swap | gmx::ISimulator | protected |
top_global | gmx::ISimulator | protected |
vsite | gmx::ISimulator | protected |
walltime_accounting | gmx::ISimulator | protected |
wcycle | gmx::ISimulator | protected |
~ISimulator()=default | gmx::ISimulator | virtual |