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Commit 064a781f authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1630 from peastman/bug 

Fixed bug computing energies without forces
parents 89f8a27e 1ded9a60
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Showing with 3 additions and 3 deletions
platforms/cuda/src/kernels/nonbonded.cu
View file @ 064a781f
...@@ -278,10 +278,10 @@ extern "C" __global__ void computeNonbonded( ...@@ -278,10 +278,10 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z; localData[tbx+tj].fz += dEdR2.z;
#endif #endif
#endif // end USE_SYMMETRIC #endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE #ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA SHUFFLE_WARP_DATA
#endif #endif
#endif
#ifdef USE_EXCLUSIONS #ifdef USE_EXCLUSIONS
excl >>= 1; excl >>= 1;
#endif #endif
...@@ -484,9 +484,9 @@ extern "C" __global__ void computeNonbonded( ...@@ -484,9 +484,9 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z; localData[tbx+tj].fz += dEdR2.z;
#endif #endif
#endif // end USE_SYMMETRIC #endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE #ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA SHUFFLE_WARP_DATA
#endif
#endif #endif
tj = (tj + 1) & (TILE_SIZE - 1); tj = (tj + 1) & (TILE_SIZE - 1);
} }
...@@ -555,9 +555,9 @@ extern "C" __global__ void computeNonbonded( ...@@ -555,9 +555,9 @@ extern "C" __global__ void computeNonbonded(
localData[tbx+tj].fz += dEdR2.z; localData[tbx+tj].fz += dEdR2.z;
#endif #endif
#endif // end USE_SYMMETRIC #endif // end USE_SYMMETRIC
#endif
#ifdef ENABLE_SHUFFLE #ifdef ENABLE_SHUFFLE
SHUFFLE_WARP_DATA SHUFFLE_WARP_DATA
#endif
#endif #endif
tj = (tj + 1) & (TILE_SIZE - 1); tj = (tj + 1) & (TILE_SIZE - 1);
} }
......
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