OpenMD 3.1
Molecular Dynamics in the Open
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Public Member Functions | |
MultipoleSum (SimInfo *info, const std::string &filename, const std::string &sele1, RealType rmax, int nrbins) | |
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::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 54 of file MultipoleSum.hpp.
OpenMD::MultipoleSum::MultipoleSum | ( | SimInfo * | info, |
const std::string & | filename, | ||
const std::string & | sele1, | ||
RealType | rmax, | ||
int | nrbins ) |
Definition at line 57 of file MultipoleSum.cpp.