Skip to content

GitLab

Commit 364130a5 authored by Peter Eastman's avatar Peter Eastman
Browse files

Converted some constants from doubles to floats

parent 021236b2
Show whitespace changes
Inline Side-by-side
Showing with 5 additions and 5 deletions
platforms/cuda/src/kernels/kCalculateCDLJForces.h
View file @ 364130a5
......@@ -112,7 +112,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD
float r = sqrt(r2);
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
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif
......@@ -161,7 +161,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD
float r = sqrt(r2);
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
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif
......@@ -259,7 +259,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD
float r = sqrt(r2);
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
dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif
......@@ -314,7 +314,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD
float r = sqrt(r2);
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
dEdR += apos.w * psA[j].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif
......@@ -405,7 +405,7 @@ __global__ void METHOD_NAME(kCalculateCDLJ, Forces_kernel)(unsigned int* workUni
#ifdef USE_EWALD
float r = sqrt(r2);
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
dEdR += apos.w * psA[tj].q * (invR - 2.0f * cSim.reactionFieldK * r2);
#endif
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment