Merge pull request #211 from peastman/master

Fixed compilation errors on gcc

openmmapi/include/openmm/internal/vectorize.h

@@ -161,7 +161,7 @@ public:
         return _mm_cmpeq_epi32(val, other);
     }
     ivec4 operator!=(ivec4 other) const {
-        return _mm_xor_si128(val==other, _mm_set1_epi32(0xFFFFFFFF));
+        return _mm_xor_si128(*this==other, _mm_set1_epi32(0xFFFFFFFF));
     }
     ivec4 operator>(ivec4 other) const {
         return _mm_cmpgt_epi32(val, other);

platforms/cpu/src/CpuGBSAOBCForce.cpp

@@ -174,13 +174,13 @@ void CpuGBSAOBCForce::threadComputeForce(ThreadPool& threads, int threadIndex) {
         }
         for (int i = 0; i < numInBlock; i++) {
             int atomIndex = blockStart+i;
-            sum[i] *= 0.5f*offsetRadiusI[i];
+            sum[i] *= 0.5f*atomRadius[i];
             float sum2 = sum[i]*sum[i];
             float sum3 = sum[i]*sum2;
             float tanhSum = tanh(alphaObc*sum[i] - betaObc*sum2 + gammaObc*sum3);
-            float radiusI = offsetRadiusI[i] + dielectricOffset;
-            bornRadii[atomIndex] = 1.0f/(1.0f/offsetRadiusI[i] - tanhSum/radiusI);
-            obcChain[atomIndex] = offsetRadiusI[i]*(alphaObc - 2.0f*betaObc*sum[i] + 3.0f*gammaObc*sum2);
+            float radiusI = atomRadius[i] + dielectricOffset;
+            bornRadii[atomIndex] = 1.0f/(1.0f/atomRadius[i] - tanhSum/radiusI);
+            obcChain[atomIndex] = atomRadius[i]*(alphaObc - 2.0f*betaObc*sum[i] + 3.0f*gammaObc*sum2);
             obcChain[atomIndex] = (1.0f - tanhSum*tanhSum)*obcChain[atomIndex]/radiusI;
         }
     }