atomicrex  0.1
An advanced atomistic model building tool
atomicrex::AtomCoordinatesDOF Member List

This is the complete list of members for atomicrex::AtomCoordinatesDOF, including all inherited members.

AtomCoordinatesDOF()atomicrex::AtomCoordinatesDOFinline
DegreeOfFreedom(const FPString &id=FPString(), const FPString &tag=FPString())atomicrex::DegreeOfFreedominline
exportValue(double *&dst) overrideatomicrex::AtomCoordinatesDOFvirtual
fitEnabled() constatomicrex::DegreeOfFreedominline
generateXMLFitDefinition() constatomicrex::DegreeOfFreedomvirtual
generateXMLValueDefinition() constatomicrex::DegreeOfFreedomvirtual
getBoundConstraints(std::vector< Minimizer::BoundConstraints >::iterator &types, std::vector< double >::iterator &lowerBounds, std::vector< double >::iterator &upperBounds)atomicrex::DegreeOfFreedominlinevirtual
hasBoundConstraints() constatomicrex::DegreeOfFreedominlinevirtual
id() constatomicrex::DegreeOfFreedominline
importValue(const double *&src) overrideatomicrex::AtomCoordinatesDOFvirtual
numScalars() overrideatomicrex::AtomCoordinatesDOFvirtual
object() constatomicrex::DegreeOfFreedominline
parseFit(XML::Element fitElement)atomicrex::DegreeOfFreedomvirtual
parseRelax(XML::Element relaxElement)atomicrex::DegreeOfFreedomvirtual
print(MsgLogger &stream)atomicrex::DegreeOfFreedominlinevirtual
relax() constatomicrex::DegreeOfFreedominline
reset() overrideatomicrex::AtomCoordinatesDOFvirtual
resetBeforeRelax() constatomicrex::DegreeOfFreedominline
satisfiesBoundConstraints() constatomicrex::DegreeOfFreedominlinevirtual
setFitEnabled(bool enable)atomicrex::DegreeOfFreedominline
setId(const FPString &id)atomicrex::DegreeOfFreedominline
setRelax(bool enable)atomicrex::DegreeOfFreedominline
setResetBeforeRelax(bool enableReset)atomicrex::DegreeOfFreedominline
setTag(const FPString &tag)atomicrex::DegreeOfFreedominline
structure() constatomicrex::AtomCoordinatesDOF
tag() constatomicrex::DegreeOfFreedominline
~DegreeOfFreedom()atomicrex::DegreeOfFreedominlinevirtual