Clean up lb.h - > get rid of InitCondition

src/gpu/VirtualFluids_GPU/LBM/LB.h

-//  _    ___      __              __________      _     __        ______________   __
-// | |  / (_)____/ /___  ______ _/ / ____/ /_  __(_)___/ /____   /  ___/ __  / /  / /
-// | | / / / ___/ __/ / / / __ `/ / /_  / / / / / / __  / ___/  / /___/ /_/ / /  / /
-// | |/ / / /  / /_/ /_/ / /_/ / / __/ / / /_/ / / /_/ (__  )  / /_) / ____/ /__/ /
-// |___/_/_/   \__/\__,_/\__,_/_/_/   /_/\__,_/_/\__,_/____/   \____/_/    \_____/
+//=======================================================================================
+// ____          ____    __    ______     __________   __      __       __        __
+// \    \       |    |  |  |  |   _   \  |___    ___| |  |    |  |     /  \      |  |
+//  \    \      |    |  |  |  |  |_)   |     |  |     |  |    |  |    /    \     |  |
+//   \    \     |    |  |  |  |   _   /      |  |     |  |    |  |   /  /\  \    |  |
+//    \    \    |    |  |  |  |  | \  \      |  |     |   \__/   |  /  ____  \   |  |____
+//     \    \   |    |  |__|  |__|  \__\     |__|      \________/  /__/    \__\  |_______|
+//      \    \  |    |   ________________________________________________________________
+//       \    \ |    |  |  ______________________________________________________________|
+//        \    \|    |  |  |         __          __     __     __     ______      _______
+//         \         |  |  |_____   |  |        |  |   |  |   |  |   |   _  \    /  _____)
+//          \        |  |   _____|  |  |        |  |   |  |   |  |   |  | \  \   \_______
+//           \       |  |  |        |  |_____   |   \_/   |   |  |   |  |_/  /    _____  |
+//            \ _____|  |__|        |________|   \_______/    |__|   |______/    (_______/
 //
-//////////////////////////////////////////////////////////////////////////
+//  This file is part of VirtualFluids. VirtualFluids is free software: you can
+//  redistribute it and/or modify it under the terms of the GNU General Public
+//  License as published by the Free Software Foundation, either version 3 of
+//  the License, or (at your option) any later version.
+//
+//  VirtualFluids is distributed in the hope that it will be useful, but WITHOUT
+//  ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+//  FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+//  for more details.
+//
+//  You should have received a copy of the GNU General Public License along
+//  with VirtualFluids (see COPYING.txt). If not, see <http://www.gnu.org/licenses/>.
+//
+//! \file lb.h
+//! \ingroup LBM
+//! \author Martin Schoenherr
+//=======================================================================================#ifndef _LB_H_
 #ifndef _LB_H_
 #define _LB_H_
 
@@ -80,89 +105,6 @@ enum class CollisionTemplate {
 constexpr std::initializer_list<CollisionTemplate> all_CollisionTemplate  = { CollisionTemplate::Default, CollisionTemplate::WriteMacroVars, CollisionTemplate::ApplyBodyForce, CollisionTemplate::AllFeatures, CollisionTemplate::SubDomainBorder};
 constexpr std::initializer_list<CollisionTemplate> bulk_CollisionTemplate = { CollisionTemplate::Default, CollisionTemplate::WriteMacroVars, CollisionTemplate::ApplyBodyForce, CollisionTemplate::AllFeatures};
 
-struct InitCondition
-{
-   real Re;
-   real factorPressBC {1.0};
-   real Diffusivity {0.001};
-   real Temp {0.0};
-   real TempBC {1.0};
-   real RealX {1.0};
-   real RealY {1.0};
-   int numprocs {1};
-   int myProcessId {0};
-   int maxdev {1};
-   uint tDoCheckPoint {0};
-   uint tDoRestart {0};
-   uint tCalcMedStart {0};
-   uint tCalcMedEnd {10};
-   uint tend {10};
-   uint tout {1};
-   uint tStartOut {0};
-   uint PressInID {0};
-   uint PressOutID {0};
-   uint PressInZ {1};
-   uint PressOutZ {2};
-   std::vector<uint> devices {0, 1}; // one device with ID = 0
-   std::vector<int> GridX, GridY, GridZ, DistX, DistY, DistZ;
-   std::vector<real> scaleLBMtoSI, translateLBMtoSI;
-   std::vector<real> minCoordX, minCoordY, minCoordZ, maxCoordX, maxCoordY, maxCoordZ;
-   std::string fname {"output/simulation"};
-   std::string oPath {"output/"};
-   std::string gridPath {"grid/"};
-   std::string oPrefix {"simulation"};
-   std::string geometryFileC, geometryFileM, geometryFileF;
-   std::string kFull, geoFull, geoVec, coordX, coordY, coordZ, neighborX, neighborY, neighborZ, neighborWSB, scaleCFC, scaleCFF, scaleFCC, scaleFCF, scaleOffsetCF, scaleOffsetFC;
-   std::string noSlipBcPos, noSlipBcQs, noSlipBcValue;
-   std::string slipBcPos, slipBcQs, slipBcValue;
-   std::string pressBcPos, pressBcQs, pressBcValue;
-   std::string geomBoundaryBcQs,velBcQs;
-   std::string geomBoundaryBcValues,velBcValues,pressBcValues,noSlipBcValues;
-   std::string propellerCylinder, propellerValues, propellerQs, measurePoints;
-   std::string inletBcQs, inletBcValues;
-   std::string outletBcQs, outletBcValues;
-   std::string topBcQs, topBcValues;
-   std::string bottomBcQs, bottomBcValues;
-   std::string frontBcQs, frontBcValues;
-   std::string backBcQs, backBcValues;
-   std::string wallBcQs, wallBcValues;
-   std::string periodicBcQs, periodicBcValues;
-   std::string numberNodes, LBMvsSI;
-   std::string cpTop, cpBottom, cpBottom2;
-   std::string concentration, streetVelocity;
-   std::string geomNormalX, geomNormalY, geomNormalZ, inflowNormalX, inflowNormalY, inflowNormalZ, outflowNormalX, outflowNormalY, outflowNormalZ;
-   uint timeStepForMP {10};
-   real clockCycleForMP {1.0};
-   real vis {0.001};
-   real vis_ratio {1.0};
-   real u0 {0.01};
-   real u0_ratio {1.0};
-   real delta_rho {0.0};
-   real delta_press {1.0};
-   bool printFiles {false};
-   bool doRestart {false};
-   bool doCheckPoint {false};
-   bool readGeo {false};
-   bool isGeo, isProp, isCp;
-   bool GeometryValues {false};
-   bool is2ndOrderMoments {false};
-   bool is3rdOrderMoments {false};
-   bool isHighOrderMoments {false};
-   bool calcMedian {false};
-   bool isConc {false};
-   bool isWale {false};
-   TurbulenceModel turbulenceModel {TurbulenceModel::None};
-   bool isTurbulentViscosity {false};
-   real SGSConstant {0.0};
-   bool isMeasurePoints {false};
-   bool isInitNeq {false};
-   bool isGeoNormal, isInflowNormal, isOutflowNormal;
-   bool hasWallModelMonitor {false};
-   bool simulatePorousMedia {false};
-   bool streetVelocityFile {false};
-   real outflowPressureCorrectionFactor {0.0};
-};
-
 //Interface Cells
 // example of old names (pre 2023) ICellCFC: interpolation from Coarse (C) to Fine (F), indices of the Coarse cells (C)
 typedef struct ICells{
@@ -179,17 +121,17 @@ typedef struct ICellNeigh{
 } InterpolationCellNeighbor;
 
 // Distribution functions g 6
-typedef struct  Distri6 {
+typedef struct  Distri6 { // ADD IN FUTURE RELEASE
    real* g[6];
 } Distributions6;
 
 // Distribution functions f 7
-typedef struct  Distri7{
+typedef struct  Distri7{ // ADD IN FUTURE RELEASE
    real* f[7];
 } Distributions7;
 
 // Distribution functions f 19
-typedef struct  Distri19{
+typedef struct  Distri19{ // DEPRECATED
    real* f[19];
 } Distributions19;
 
@@ -236,14 +178,14 @@ typedef struct QforPrecursorBC{
 }QforPrecursorBoundaryConditions;
 
 //BCTemp
-typedef struct TempforBC{
+typedef struct TempforBC{  // ADD IN FUTURE RELEASE
    int* k;
    real* temp;
    int kTemp=0;
 }TempforBoundaryConditions;
 
 //BCTempVel
-typedef struct TempVelforBC{
+typedef struct TempVelforBC{  // ADD IN FUTURE RELEASE
    int* k;
    real* temp;
    real* tempPulse;
@@ -252,7 +194,7 @@ typedef struct TempVelforBC{
 }TempVelforBoundaryConditions;
 
 //BCTempPress
-typedef struct TempPressforBC{
+typedef struct TempPressforBC{  // ADD IN FUTURE RELEASE
    int* k;
    real* temp;
    real* velo;
@@ -272,7 +214,7 @@ typedef struct WMparas{
 
 
 //measurePoints
-typedef struct MeasP{
+typedef struct MeasP{ // ADD IN FUTURE RELEASE
    std::string name;
    uint k;
    std::vector<real> Vx;
@@ -296,7 +238,7 @@ typedef struct PN27{
    int numberOfFs;
 }ProcessNeighbor27;
 
-typedef struct PN_F3 {
+typedef struct PN_F3 { // ADD IN FUTURE RELEASE
    real* g[6];
    uint memsizeGs;
    int* index;
@@ -306,7 +248,7 @@ typedef struct PN_F3 {
    int numberOfGs;
 }ProcessNeighborF3;
 
-//path line particles
+//path line particles // DEPRECATED
 typedef struct PLP{
    bool *stuck, *hot;
    real *coordXabsolut, *coordYabsolut, *coordZabsolut;
@@ -321,6 +263,7 @@ typedef struct PLP{
 }PathLineParticles;
 
 //////////////////////////////////////////////////////////////////////////
+// DEPRECATED
 inline int vectorPosition(int i, int j, int k, int Lx, int Ly )
 {
    //return((j+15)*(Lx+2*16)+(i+15));