ls1-MarDyn
ls1-MarDyn molecular dynamics code
Classes | Public Member Functions | List of all members
Planar Class Reference
Inheritance diagram for Planar:
LongRangeCorrection ObserverBase ControlInstance

Public Member Functions

 Planar (double cutoffT, double cutoffLJ, Domain *domain, DomainDecompBase *domainDecomposition, ParticleContainer *particleContainer, unsigned slabs, Simulation *simulation)
 
virtual void init ()
 Read in XML configuration for Planar and all its included objects. More...
 
virtual void readXML (XMLfileUnits &xmlconfig)
 
virtual void calculateLongRange ()
 
double lrcLJ (Molecule *mol)
 
void directDensityProfile ()
 
void SetSmoothDensityProfileOption (bool bVal)
 
virtual void writeProfiles (DomainDecompBase *domainDecomp, Domain *domain, unsigned long simstep)
 
SubjectBasegetSubject ()
 
void update (SubjectBase *subject) override
 
std::string getShortName () override
 

Member Function Documentation

◆ calculateLongRange()

void Planar::calculateLongRange ( )
virtual

Implements LongRangeCorrection.

◆ getShortName()

std::string Planar::getShortName ( )
inlineoverridevirtual

Implements ControlInstance.

◆ init()

void Planar::init ( )
virtual

Read in XML configuration for Planar and all its included objects.

The following XML object structure is handled by this method:

<longrange type="planar">
<region> <!-- y coordinates of left and right boundaries within correction is applied to particles -->
<left refcoordsID="INT">FLOAT</left> <!-- Reference of coordinate can be set (see DistControl); 0: origin (default) | 1:left interface | 2:right interface -->
<right refcoordsID="INT">FLOAT</right>
</region>
<slabs>INT</slabs> <!-- Domain is divided into INT slabs -->
<smooth>0</smooth>
<frequency>10</frequency> <!-- Frequency at which LRC is recalculated -->
<writecontrol> <!-- Parameters to control output in file -->
<start>900000</start>
<frequency>100000</frequency>
<stop>5000000</stop>
</writecontrol>
</longrange>

Implements LongRangeCorrection.

◆ readXML()

void Planar::readXML ( XMLfileUnits xmlconfig)
virtual

Implements LongRangeCorrection.

◆ update()

void Planar::update ( SubjectBase subject)
overridevirtual

Implements ObserverBase.

◆ writeProfiles()

void Planar::writeProfiles ( DomainDecompBase domainDecomp,
Domain domain,
unsigned long  simstep 
)
virtual

Implements LongRangeCorrection.


The documentation for this class was generated from the following files: