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Commit 364130a5 authored by Peter Eastman's avatar Peter Eastman
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Converted some constants from doubles to floats

parent 021236b2
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Showing with 5 additions and 5 deletions
platforms/cuda/src/kernels/kCalculateCDLJForces.h
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...@@ -112,7 +112,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni ...@@ -112,7 +112,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD #ifdef USE_EWALD
float r = sqrt(r2); float r = sqrt(r2);
float alphaR = cSim.alphaEwald * r; float alphaR = cSim.alphaEwald * r;
dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0 * alphaR * exp ( - alphaR * alphaR) / SQRT_PI ); dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0f * alphaR * exp ( - alphaR * alphaR) / SQRT_PI );
#else #else
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2); dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif #endif
...@@ -161,7 +161,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni ...@@ -161,7 +161,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD #ifdef USE_EWALD
float r = sqrt(r2); float r = sqrt(r2);
float alphaR = cSim.alphaEwald * r; float alphaR = cSim.alphaEwald * r;
dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0 * alphaR * exp ( - alphaR * alphaR) / SQRT_PI ); dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0f * alphaR * exp ( - alphaR * alphaR) / SQRT_PI );
#else #else
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2); dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif #endif
...@@ -259,7 +259,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni ...@@ -259,7 +259,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD #ifdef USE_EWALD
float r = sqrt(r2); float r = sqrt(r2);
float alphaR = cSim.alphaEwald * r; float alphaR = cSim.alphaEwald * r;
dEdR += apos.w * psA[tj].q * invR * (erfc(alphaR) + 2.0 * alphaR * exp ( - alphaR * alphaR) / SQRT_PI ); dEdR += apos.w * psA[tj].q * invR * (erfc(alphaR) + 2.0f * alphaR * exp ( - alphaR * alphaR) / SQRT_PI );
#else #else
dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2); dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif #endif
...@@ -314,7 +314,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni ...@@ -314,7 +314,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD #ifdef USE_EWALD
float r = sqrt(r2); float r = sqrt(r2);
float alphaR = cSim.alphaEwald * r; float alphaR = cSim.alphaEwald * r;
dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0 * alphaR * exp ( - alphaR * alphaR) / SQRT_PI ); dEdR += apos.w * psA[j].q * invR * (erfc(alphaR) + 2.0f * alphaR * exp ( - alphaR * alphaR) / SQRT_PI );
#else #else
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2); dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif #endif
...@@ -405,7 +405,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni ...@@ -405,7 +405,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD #ifdef USE_EWALD
float r = sqrt(r2); float r = sqrt(r2);
float alphaR = cSim.alphaEwald * r; float alphaR = cSim.alphaEwald * r;
dEdR += apos.w * psA[tj].q * invR * (erfc(alphaR) + 2.0 * alphaR * exp ( - alphaR * alphaR) / SQRT_PI ); dEdR += apos.w * psA[tj].q * invR * (erfc(alphaR) + 2.0f * alphaR * exp ( - alphaR * alphaR) / SQRT_PI );
#else #else
dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2); dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif #endif
......
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