5#ifndef MARDYN_TRUNK_VELOCITYPROFILE_H
6#define MARDYN_TRUNK_VELOCITYPROFILE_H
8#include "ProfileBase.h"
9#include "plugins/SpatialProfile.h"
21 _densityProfile(densProf), _local3dProfile(), _global3dProfile() {
25 for(
unsigned short d = 0; d < 3; d++){
26 _local3dProfile[uID][d] += mol.v(d);
30 for(
unsigned short d = 0; d < 3; d++){
31 domainDecomp->collCommAppendDouble(_local3dProfile[uID][d]);
35 for(
unsigned short d = 0; d < 3; d++){
36 _global3dProfile[uID][d] = domainDecomp->collCommGetDouble();
39 void output(
string prefix,
long unsigned accumulatedDatasets)
final;
40 void reset(
unsigned long uID)
final {
41 for(
unsigned d = 0; d < 3; d++){
42 _local3dProfile[uID][d] = 0.0;
43 _global3dProfile[uID][d] = 0.0;
53 std::map<unsigned, std::array<double,3>> _local3dProfile;
55 std::map<unsigned, std::array<double,3>> _global3dProfile;
57 void writeDataEntry(
unsigned long uID, ofstream &outfile)
const final;
Outputs the number density of molecules per bin specified by Sampling grid in KartesianProfile.
Definition: DensityProfile.h:14
handle boundary region and multiple processes
Definition: DomainDecompBase.h:51
FullMolecule modeled as LJ sphere with point polarities.
Definition: FullMolecule.h:18
Base class for all Profile outputs used by KartesianProfile.
Definition: ProfileBase.h:34
Outputs the XYZ velocity components per bin specified by Sampling grid in KartesianProfile.
Definition: Velocity3dProfile.h:18
int comms() final
1D profiles like a number density profile should return 1 here. 3D profiles that have 3 entries per b...
Definition: Velocity3dProfile.h:47
void output(string prefix, long unsigned accumulatedDatasets) final
Whatever is necessary to output for this profile.
Definition: Velocity3dProfile.cpp:9
void collectRetrieve(DomainDecompBase *domainDecomp, unsigned long uID) final
Get global values after AllReduceSum per bin. Write to e.g. _globalProfile.
Definition: Velocity3dProfile.h:34
void reset(unsigned long uID) final
Used to reset all array contents for a specific uID in order to start the next recording timeframe.
Definition: Velocity3dProfile.h:40
void collectAppend(DomainDecompBase *domainDecomp, unsigned long uID) final
Append all necessary communication per bin to the DomainDecomposition. Append from e....
Definition: Velocity3dProfile.h:29
void record(Molecule &mol, unsigned long uID) final
The recording step defines what kind of data needs to be recorded for a single molecule with a corres...
Definition: Velocity3dProfile.h:24