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Commit b38618a7 authored by peastman's avatar peastman
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Merge pull request #1175 from peastman/amoebadouble 

Removed some unnecessary double precision
parents d1afc976 3d4ba773
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plugins/amoeba/platforms/cuda/src/kernels/pmeMultipoleElectrostatics.cu
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...@@ -414,7 +414,7 @@ __device__ void computeOneInteraction(AtomData& atom1, AtomData& atom2, bool has ...@@ -414,7 +414,7 @@ __device__ void computeOneInteraction(AtomData& atom1, AtomData& atom2, bool has
__device__ void computeSelfEnergyAndTorque(AtomData& atom1, mixed& energy) { __device__ void computeSelfEnergyAndTorque(AtomData& atom1, mixed& energy) {
real cii = atom1.q*atom1.q; real cii = atom1.q*atom1.q;
real3 dipole = make_real3(atom1.sphericalDipole.y, atom1.sphericalDipole.z, atom1.sphericalDipole.x); real3 dipole = make_real3(atom1.sphericalDipole.y, atom1.sphericalDipole.z, atom1.sphericalDipole.x);
real dii = dot(dipole, dipole+(atom1.inducedDipole+atom1.inducedDipolePolar)*0.5); real dii = dot(dipole, dipole+(atom1.inducedDipole+atom1.inducedDipolePolar)*0.5f);
#ifdef INCLUDE_QUADRUPOLES #ifdef INCLUDE_QUADRUPOLES
real qii = (atom1.sphericalQuadrupole[0]*atom1.sphericalQuadrupole[0] + real qii = (atom1.sphericalQuadrupole[0]*atom1.sphericalQuadrupole[0] +
atom1.sphericalQuadrupole[1]*atom1.sphericalQuadrupole[1] + atom1.sphericalQuadrupole[1]*atom1.sphericalQuadrupole[1] +
......
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