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Viewing changes to src/globalvar.cpp

Committer: Package Import Robot
Author(s): Daniel Leidert
Date: 2015-05-10 11:28:34 UTC
mfrom: (1.1.10)
Revision ID: package-import@ubuntu.com-20150510112834-7376w30r5uor41vf

Tags: 150205-1

* New upstream release.
* debian/control (Standards-Version): Bumped to 3.9.6.
* debian/copyright: Updated.

files added:
src/xmemfile.cpp

src/xmemfile.h

files removed:
debian/patches

debian/patches/series

src/3df.cpp

files modified:
README

debian/changelog

debian/control

debian/copyright

src/2df.cpp

src/2df.h

src/3df.h

src/acf.cpp

src/acf.h

src/aggregate.h

src/analysis.h

src/analysisgroup.cpp

src/analysisgroup.h

src/asciiart.cpp

src/asciiart.h

src/atomgroup.cpp

src/atomgroup.h

src/backtrace.cpp

src/backtrace.h

src/base64.cpp

src/base64.h

src/bintools.cpp

src/bintools.h

src/bintree.cpp

src/bintree.h

src/chiral.cpp

src/chiral.h

src/config.h

src/dacf.cpp

src/dacf.h

src/database.cpp

src/database.h

src/df.cpp

src/df.h

src/element.h

src/elementdata.cpp

src/fft.cpp

src/fft.h

src/gather.cpp

src/globalvar.cpp

src/globalvar.h

src/grace.cpp

src/grace.h

src/interface.cpp

src/interface.h

src/internalcoord.cpp

src/internalcoord.h

src/ir.cpp

src/ir.h

src/linalg.cpp

src/linalg.h

src/lmwrapper.cpp

src/lmwrapper.h

src/maintools.cpp

src/maintools.h

src/moltools.cpp

src/moltools.h

src/nbexchange.cpp

src/nbexchange.h

src/nbsearch.cpp

src/nbsearch.h

src/normalcoordinate.cpp

src/normalcoordinate.h

src/normalmode.cpp

src/normalmode.h

src/pdf.cpp

src/pdf.h

src/plproj.cpp

src/plproj.h

src/raman.cpp

src/raman.h

src/random.cpp

src/random.h

src/region.cpp

src/region.h

src/reordyn.cpp

src/reordyn.h

src/revsdf.cpp

src/revsdf.h

src/sdfmap.cpp

src/sdfmap.h

src/spectrum.cpp

src/spectrum.h

src/statistics.cpp

src/statistics.h

src/timestep.cpp

src/timestep.h

src/tools.cpp

src/tools.h

src/travis.cpp

src/travis.h

src/xbytearray.cpp

src/xbytearray.h

src/xdf.cpp

src/xdf.h

src/xdmatrix3.cpp

src/xdmatrix3.h

src/xdoublearray.cpp

src/xdoublearray.h

src/xdvec3array.cpp

src/xdvec3array.h

src/xdvector3.cpp

src/xdvector3.h

src/xdvectorn.cpp

src/xdvectorn.h

src/xfloatarray.cpp

src/xfloatarray.h

src/xintarray.cpp

src/xintarray.h

src/xlongarray.cpp

src/xlongarray.h

src/xmatrix3.cpp

src/xmatrix3.h

src/xobarray.cpp

src/xobarray.h

src/xobject.h

src/xptrarray.cpp

src/xptrarray.h

src/xquaternion.h

src/xstring.cpp

src/xstring.h

src/xvec3array.cpp

src/xvec3array.h

src/xvector3.cpp

src/xvector3.h

src/xwordarray.cpp

src/xwordarray.h

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src/globalvar.cpp

TRAVIS - Trajectory Analyzer and Visualizer

http://www.travis-analyzer.de/

2012-2014 Martin Thomas

2012-2015 Martin Thomas

This file written by Martin Brehm and Martin Thomas.

#include "database.h"

#include "statistics.h"

#include "maintools.h"

CxObArray g_oaAtoms; // Die Atomsorten der Simulation

CxObArray g_oaMolecules; // Die Molekuelsorten der Simulation

float g_fSFDFLevel[16];

float g_fSMeanFDFLevel[16];

float g_fSMaxFDFLevel[16];

char g_sRefEnv[256];

//char g_sRefEnv[256];

CxString g_sRefEnv;

bool g_bUseVelocities;

bool g_bUseForces;

float g_fBoxX, g_fBoxY, g_fBoxZ;

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float g_fLMaxVel, g_fLMaxForce;

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float g_fLMidVel, g_fLMidForce;

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bool g_bAsciiArt;

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char g_sInputVel[256];

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char g_sInputForce[256];

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char g_sInputCtrl[256];

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//char g_sInputVel[256];

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//char g_sInputForce[256];

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//char g_sInputCtrl[256];

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CxString g_sInputVel;

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CxString g_sInputForce;

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CxString g_sInputCtrl;

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CDatabase *g_pDatabase;

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CxIntArray g_laAtomSMIndex; // Enthaelt fuer jedes Atom, in welchem SingleMolecule es sich befindet, oder -1 wenn gar nicht

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bool g_bWriteAtomwise;

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bool g_bResp;

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time_t g_iStartTime, g_iEndTime;

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int g_iScanVelSteps;

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int g_iScanVelStride;

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bool g_bReact;

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bool g_bSilentProgress;

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int g_iColorIntensity;

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bool g_bNPT;

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char g_sNPTFile[256];

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//char g_sNPTFile[256];

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CxString g_sNPTFile;

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FILE *g_fNPTFile;

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bool g_bNbExchange;

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int g_iDerivNext;

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int g_iCloseAtomCounter;

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bool g_bVoro;

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bool g_bRemoveCOM;

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int g_iVoroMemory;

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bool g_bSaxonize;

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bool g_bUnknownElements;

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bool g_bClusterAnalysis;

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bool g_bNeedMoleculeWrap;

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bool g_bMicroHet;

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bool g_bAdvanced1;

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bool g_bAdvanced2;

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bool g_bVoid;

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bool g_bDipoleDefined;

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bool g_bVoidSDF;

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bool g_bFFGen;

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bool g_bSaveCoordsUnchanged;

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float g_fMinPeriodic;

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bool g_bThermo;

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bool g_bRegionAnalysis;

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CxIntArray g_iaSMRegion;

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double *g_fLSpecEvolveBuf;

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bool g_bXYZ4thCol;

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bool g_bXYZComment6Numbers;

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bool g_bReadChargesFrom4thXYZ;

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bool g_bPairMSD;

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bool g_bSFac;

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//CStructureFactor *g_pSFac;

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bool g_bFESA;

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bool g_bEnvWriteDetailedInfo;

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bool g_bEnvSortNb;

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bool g_bPower = false;

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bool g_bIR = false;

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bool g_bTegri;

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CxFloatArray g_faVoronoiRadii;

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bool g_bBoxNonOrtho;

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int g_iCubeYMismatch = 0;

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int g_iCubeZMismatch = 0;

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bool g_bVoroSilent;

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bool g_bMinimizeChargeVar;

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bool g_bVoronoiMoments;

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bool g_bVoroIntEquitable;

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bool g_bCubeCorrectCore = false;

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CxObArray g_oaCoreDensities;

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int g_iCoreInterpolateX = 1;

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int g_iCoreInterpolateY = 1;

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int g_iCoreInterpolateZ = 1;

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float g_fCoreCutoff = 2.0f;

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char g_sAmberParmFile[1024];

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//char g_sAmberParmFile[1024];

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CxString g_sAmberParmFile;

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