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OpenMD 3.1
Molecular Dynamics in the Open
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Inheritance diagram for OpenMD::SCDOrderParameter:Public Member Functions | |
| SCDOrderParameter (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, const std::string &sele3) | |
| SCDOrderParameter (SimInfo *info, const std::string &filename, const std::string &molname, int beginIndex, int endIndex) | |
| 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::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 78 of file SCDOrderParameter.hpp.
| OpenMD::SCDOrderParameter::SCDOrderParameter | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | sele1, | ||
| const std::string & | sele2, | ||
| const std::string & | sele3 ) |
Definition at line 160 of file SCDOrderParameter.cpp.
| OpenMD::SCDOrderParameter::SCDOrderParameter | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | molname, | ||
| int | beginIndex, | ||
| int | endIndex ) |
Definition at line 173 of file SCDOrderParameter.cpp.
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virtual |
Implements OpenMD::StaticAnalyser.
Definition at line 194 of file SCDOrderParameter.cpp.