1#ifndef RPG_CONCENTRATION_WRITER_TPP
2#define RPG_CONCENTRATION_WRITER_TPP
10#include "ConcentrationWriter.h"
12#include <rpg/fts/simulator/Simulator.h>
13#include <rpg/system/System.h>
14#include <util/misc/FileMaster.h>
15#include <util/misc/ioUtil.h>
56 system().fileMaster().openOutputFile(filename_ , outputFile_);
64 if (!
system().c().hasData()){
67 out <<
"i = " << iStep <<
"\n";
69 bool isSymmetric =
false;
82 int nMonomer =
system().mixture().nMonomer();
83 bool isSymmetric =
false;
109 { outputFile_.close(); }
virtual void readParameters(std::istream &in)
Read parameters from archive.
const std::string & outputFileName() const
Return outputFileName string.
Analyzer()
Default constructor.
bool isAtInterval(long counter) const
Return true iff counter is a multiple of the interval.
long nSample_
Number of configurations dumped thus far (first dump is zero).
ConcentrationWriter(Simulator< D > &simulator, System< D > &system)
Constructor.
virtual void setup()
Clear nSample counter.
void setClassName(const char *className)
Set class name string.
Simulator< D > * simulatorPtr_
Pointer to parent Simulator.
virtual void readParameters(std::istream &in)
Read interval and output file name.
virtual void sample(long iStep)
Write a frame/snapshot to trajectory file.
virtual void output()
Close trajectory file after run.
long isInitialized_
Has readParam been called?
void writeFrame(std::ofstream &out, long iStep)
Write data that should appear in every frame.
Simulator< D > & simulator()
Return reference to parent Simulator.
System< D > & system()
Return reference to parent system.
System< D > * systemPtr_
Pointer to the parent system.
void writeHeader(std::ofstream &out)
Write data that should appear once, at beginning of the file.
Spatial domain for a periodic structure with real fields, on a GPU.
FieldIo< D > & fieldIo()
Get the FieldIo by non-const reference.
UnitCell< D > & unitCell()
Get the UnitCell by non-const reference.
File input/output operations and format conversions for fields.
void writeFieldHeader(std::ostream &out, int nMonomer, UnitCell< D > const &unitCell, bool isSymmetric=true) const
Write header for field file (fortran pscf format).
void writeFieldsRGrid(std::ostream &out, DArray< RField< D > > const &fields, UnitCell< D > const &unitCell, bool writeHeader=true, bool isSymmetric=true, bool writeMeshSize=true) const override
Write array of RField objects (fields on r-space grid) to a stream.
Field theoretic simulator (base class).
Main class, representing one complete system.
#define UTIL_CHECK(condition)
Assertion macro suitable for serial or parallel production code.
SCFT and PS-FTS with real periodic fields (GPU)
PSCF package top-level namespace.