added equilibrium reactions and tests

Author: rrsettgast

src/CMakeLists.txt

@@ -3,6 +3,7 @@ set( hpcReact_headers
      common/macros.hpp
      common/CArrayWrapper.hpp
      reactions/base/ReactionsParametersBase.hpp
+     reactions/bulkGeneric/EquilibriumReactions.hpp
      reactions/bulkGeneric/KineticReactions.hpp
      reactions/bulkGeneric/Parameters.hpp
      reactions/bulkGeneric/ParametersPredefined.hpp
@@ -51,7 +52,7 @@ target_include_directories( hpcReact
 # hpcReact_add_code_checks( PREFIX hpcReact
 #                        EXCLUDES "blt/*" )
 
-add_subdirectory( reactions/bulkDebyeHuckel/unitTests )
+#add_subdirectory( reactions/bulkDebyeHuckel/unitTests )
 add_subdirectory( reactions/bulkGeneric/unitTests )
 add_subdirectory( common/unitTests )
 add_subdirectory( docs )

src/common/CArrayWrapper.hpp

@@ -1,10 +1,6 @@
 #pragma once
+#include "macros.hpp"
 
-#if defined( __CUDACC__ ) || defined( __HIPCC__ )
-#define HPCREACT_HOST_DEVICE __host__ __device__
-#else
-#define HPCREACT_HOST_DEVICE
-#endif
 
 /**
  * @brief A generic wrapper for C-style arrays of varying dimensionality.
@@ -197,5 +193,3 @@ struct CArrayWrapper< T, DIM0, DIM1, DIM2 >
   T data[DIM0][DIM1][DIM2];
 };
 
-
-#undef HPCREACT_HOST_DEVICE

src/common/DirectSystemSolve.hpp

@@ -1,15 +1,17 @@
 #pragma once
+
 #include "macros.hpp"
 #include<cmath>
 
 namespace hpcReact
 {
 template< typename REAL_TYPE, int N >
-HPCREACT_HOST_DEVICE void solveNxN_pivoted(REAL_TYPE A[N][N], REAL_TYPE b[N], REAL_TYPE x[N]) 
+HPCREACT_HOST_DEVICE 
+void solveNxN_pivoted(REAL_TYPE A[N][N], REAL_TYPE b[N], REAL_TYPE x[N]) 
 {
 
 
-  int pivot[N] = {0, 1, 2};  // Row index tracker
+  int pivot[N];  // Row index tracker
   for (int i = 0; i < N; i++) 
   {
     pivot[i] = i;

src/common/macros.hpp

@@ -1,6 +1,6 @@
+#pragma once
+
 
-#ifndef HPCREACT_MACROS_HPP
-#define HPCREACT_MACROS_HPP
 
 #if defined( __CUDACC__ ) || defined( __HIPCC__ )
 #define HPCREACT_USE_DEVICE
@@ -20,4 +20,3 @@
 /// unused.
 #define HPCREACT_UNUSED_VAR( ... ) (void)( __VA_ARGS__ )
 
-#endif // HPCREACT_MACROS_HPP

src/common/macrosCleanup.hpp

@@ -1,6 +1,6 @@
-#undef HPCREACT_USE_DEVICE
-#undef HPCREACT_HOST_DEVICE
-#undef HPCREACT_GLOBAL
-#undef HPCREACT_UNUSED_VAR
-#undef UNDEFINE_PREPROCESSOR_VARS
-#undef HPCREACT_MACROS_HPP
+// #undef HPCREACT_USE_DEVICE
+// #undef HPCREACT_HOST_DEVICE
+// #undef HPCREACT_GLOBAL
+// #undef HPCREACT_UNUSED_VAR
+// #undef UNDEFINE_PREPROCESSOR_VARS
+// #undef HPCREACT_MACROS_HPP