votca 2024.2-dev
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TrajForce Member List

This is the complete list of members for TrajForce, including all inherited members.

AddObserver(CGObserver *observer)votca::csg::CsgApplicationinline
AddProgramOptions(const std::string &group="")votca::tools::Application
Application()votca::tools::Application
BeginEvaluate(Topology *top, Topology *top_atom) overrideTrajForcevirtual
CheckRequired(const std::string &option_name, const std::string &error_msg="")votca::tools::Application
continue_execution_votca::tools::Applicationprotected
CsgApplication()=defaultvotca::csg::CsgApplication
do_mapping_votca::csg::CsgApplicationprotected
DoMapping() overrideTrajForceinlinevirtual
DoMappingDefault(void)votca::csg::CsgApplicationinlinevirtual
DoThreaded(void)votca::csg::CsgApplicationinlinevirtual
DoTrajectory() overrideTrajForceinlinevirtual
EndEvaluate() overrideTrajForcevirtual
EvalConfiguration(Topology *conf, Topology *conf_atom) overrideTrajForcevirtual
EvaluateOptions() overrideTrajForcevirtual
EvaluateTopology(Topology *, Topology *=nullptr)votca::csg::CsgApplicationinlinevirtual
Exec(int argc, char **argv)votca::tools::Application
ForkWorker(void)votca::csg::CsgApplicationvirtual
HelpText(ostream &out) overrideTrajForceinlinevirtual
Initialize(void) overrideTrajForcevirtual
is_first_frame_votca::csg::CsgApplicationprotected
MergeWorker(Worker *worker)votca::csg::CsgApplicationvirtual
myWorkers_votca::csg::CsgApplicationprotected
NeedsTopology(void)votca::csg::CsgApplicationinlinevirtual
nframes_votca::csg::CsgApplicationprotected
nframesMutex_votca::csg::CsgApplicationprotected
nthreads_votca::csg::CsgApplicationprotected
observers_votca::csg::CsgApplicationprotected
op_desc_votca::tools::Applicationprivate
op_groups_votca::tools::Applicationprotected
op_vm_votca::tools::Applicationprivate
OpenForcesTrajectory()TrajForceprotected
OptionsDesc()votca::tools::Applicationinline
OptionsMap()votca::tools::Applicationinline
ParseCommandLine(int argc, char **argv)votca::tools::Applicationprivate
ProcessData(Worker *worker)votca::csg::CsgApplication
ProgramName() overrideTrajForceinlinevirtual
Run(void) overridevotca::csg::CsgApplicationvirtual
scale_TrajForceprotected
ShowHelpText(std::ostream &out) overridevotca::csg::CsgApplicationvirtual
StopExecution()votca::tools::Applicationinline
SynchronizeThreads(void)votca::csg::CsgApplicationinlinevirtual
threadsMutexesIn_votca::csg::CsgApplicationprotected
threadsMutexesOut_votca::csg::CsgApplicationprotected
top_force_TrajForceprotected
traj_reader_votca::csg::CsgApplicationprotected
traj_readerMutex_votca::csg::CsgApplicationprotected
trjreader_force_TrajForceprotected
trjwriter_TrajForceprotected
VersionString()votca::tools::Applicationinlinevirtual
visible_options_votca::tools::Applicationprivate
VisibleOptions()votca::tools::Applicationinline
WriteOutFiles()TrajForceprotected
~Application()votca::tools::Applicationvirtual
~CsgApplication() override=defaultvotca::csg::CsgApplication
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