OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
RNEMDZ (SimInfo *info, const std::string &filename, const std::string &sele, int nzbins, int axis=2) | |
void | processFrame (int frame) |
void | processStuntDouble (StuntDouble *, int) |
Public Member Functions inherited from OpenMD::SlabStatistics | |
SlabStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins, int axis) | |
virtual int | getBin (Vector3d pos) |
Public Member Functions inherited from OpenMD::SpatialStatistics | |
SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins) | |
virtual void | process () |
Public Member Functions inherited from OpenMD::StaticAnalyser | |
StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins) | |
void | setOutputName (const std::string &filename) |
const std::string & | getOutputFileName () const |
void | setStep (int step) |
int | getStep () const |
const std::string & | getAnalysisType () const |
void | setAnalysisType (const std::string &type) |
void | setParameterString (const std::string ¶ms) |
Additional Inherited Members | |
Protected Member Functions inherited from OpenMD::StaticAnalyser | |
virtual void | writeOutput () |
Protected Attributes inherited from OpenMD::SlabStatistics | |
Mat3x3d | hmat_ |
RealType | volume_ |
int | axis_ |
std::string | axisLabel_ |
Protected Attributes inherited from OpenMD::SpatialStatistics | |
Snapshot * | currentSnapshot_ |
int | nProcessed_ |
std::string | selectionScript_ |
SelectionEvaluator | evaluator_ |
SelectionManager | seleMan_ |
Protected Attributes inherited from OpenMD::StaticAnalyser | |
SimInfo * | info_ {nullptr} |
std::string | dumpFilename_ |
int | step_ |
unsigned int | nBins_ |
std::string | outputFilename_ |
std::string | analysisType_ |
std::string | paramString_ |
std::vector< OutputData > | data_ |
std::vector< AtomType * > | outputTypes_ |
Definition at line 61 of file RNEMDStats.hpp.
OpenMD::RNEMDZ::RNEMDZ | ( | SimInfo * | info, |
const std::string & | filename, | ||
const std::string & | sele, | ||
int | nzbins, | ||
int | axis = 2 ) |
Definition at line 80 of file RNEMDStats.cpp.
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virtual |
Reimplemented from OpenMD::SlabStatistics.
Definition at line 210 of file RNEMDStats.cpp.
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inlinevirtual |
Implements OpenMD::SpatialStatistics.
Definition at line 66 of file RNEMDStats.hpp.