OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
GofRAngle2 (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, RealType len, int nrbins, int nangleBins) | |
GofRAngle2 (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3, RealType len, int nrbins, int nangleBins) | |
Public Member Functions inherited from OpenMD::RadialDistrFunc | |
RadialDistrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, unsigned int nbins) | |
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::RadialDistrFunc | |
virtual void | postProcess () |
int | getNPairs () |
int | getNSelected1 () |
int | getNSelected2 () |
Protected Member Functions inherited from OpenMD::StaticAnalyser | |
virtual void | writeOutput () |
Protected Attributes inherited from OpenMD::RadialDistrFunc | |
Snapshot * | currentSnapshot_ |
std::string | selectionScript1_ |
std::string | selectionScript2_ |
int | nProcessed_ |
SelectionEvaluator | evaluator1_ |
SelectionEvaluator | evaluator2_ |
SelectionManager | seleMan1_ |
SelectionManager | seleMan2_ |
SelectionManager | sele1_minus_common_ |
SelectionManager | sele2_minus_common_ |
SelectionManager | common_ |
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 52 of file GofRAngle2.hpp.
OpenMD::GofRAngle2::GofRAngle2 | ( | SimInfo * | info, |
const std::string & | filename, | ||
const std::string & | sele1, | ||
const std::string & | sele2, | ||
RealType | len, | ||
int | nrbins, | ||
int | nangleBins ) |
Definition at line 58 of file GofRAngle2.cpp.
OpenMD::GofRAngle2::GofRAngle2 | ( | SimInfo * | info, |
const std::string & | filename, | ||
const std::string & | sele1, | ||
const std::string & | sele2, | ||
const std::string & | sele3, | ||
RealType | len, | ||
int | nrbins, | ||
int | nangleBins ) |
Definition at line 89 of file GofRAngle2.cpp.