Merge pull request #121 from GOMC-WSU/YounesN-patch-1

Added CUB library download notice to README.md

README.md

@@ -48,8 +48,10 @@ To cite GOMC project, please use [GOMC SoftwareX paper](https://www.sciencedirec
   4. Click configure, select your compiler/environment
   5. Wait for CMake to finish the configuration.
   6. Click configure again and click generate.
-  7. Open the CMake-generated project/solution etc. to the desired IDE (e.g Visual Studio).
-  8. Using the solution in the IDE of choice build GOMC per the IDE's standard release compilation/executable generation methods.
+  7. Download [CUB library](https://nvlabs.github.io/cub/download_cub.html)
+  8. Extract CUB library and copy the "cub" folder from CUB library into "lib" folder inside GOMC directory.
+  9. Open the CMake-generated project/solution etc. to the desired IDE (e.g Visual Studio).
+  10. Using the solution in the IDE of choice build GOMC per the IDE's standard release compilation/executable generation methods.
 
    NOTES:
       You can also use CMake from the Windows command line if its directory is

src/EwaldCached.cpp

@@ -405,7 +405,7 @@ void EwaldCached::backupMolCache()
     if(BOX_TOTAL == 2) {
       exgMolCache();
     } else {
-      uint m;
+      int m;
 #ifdef _OPENMP
       #pragma omp parallel for private(m)
 #endif
@@ -415,7 +415,7 @@ void EwaldCached::backupMolCache()
       }
     }
   } else {
-    uint m;
+    int m;
 #ifdef _OPENMP
     #pragma omp parallel for private(m)
 #endif
@@ -425,4 +425,4 @@ void EwaldCached::backupMolCache()
     }
   }
 #endif
-}
+}