Commit 4cde8c54 authored by Michael Sherman's avatar Michael Sherman
Browse files

Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h...

Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h up to start of LJ file -- it wouldn't compile when included locally due to attempt to match extern binding with anonymous struct type.
parent e391509f
......@@ -399,9 +399,9 @@ void ReferenceCalcNonbondedForceKernel::initialize(const System& system, const N
RealOpenMM my = periodicBoxSize[1]/nonbondedCutoff;
RealOpenMM mz = periodicBoxSize[2]/nonbondedCutoff;
RealOpenMM pi = (RealOpenMM) 3.1415926535897932385;
kmax[0] = std::ceil(-(mx/pi)*std::log(ewaldErrorTol));
kmax[1] = std::ceil(-(my/pi)*std::log(ewaldErrorTol));
kmax[2] = std::ceil(-(mz/pi)*std::log(ewaldErrorTol));
kmax[0] = (int)std::ceil(-(mx/pi)*std::log(ewaldErrorTol));
kmax[1] = (int)std::ceil(-(my/pi)*std::log(ewaldErrorTol));
kmax[2] = (int)std::ceil(-(mz/pi)*std::log(ewaldErrorTol));
if (kmax[0]%2 == 0)
kmax[0]++;
if (kmax[1]%2 == 0)
......
......@@ -32,6 +32,8 @@
#include "ReferenceLJCoulombIxn.h"
#include "ReferenceForce.h"
#include "pme.h"
// In case we're using some primitive version of Visual Studio this will
// make sure that erf() and erfc() are defined.
#include "MSVC_erfc.h"
......@@ -452,8 +454,7 @@ int ReferenceLJCoulombIxn::calculatePMEIxn( int numberOfAtoms, RealOpenMM** atom
RealOpenMM* fixedParameters, RealOpenMM** forces,
RealOpenMM* energyByAtom, RealOpenMM* totalEnergy) const {
#include "../SimTKUtilities/RealTypeSimTk.h"
#include "pme.h"
RealOpenMM SQRT_PI = sqrt(PI);
static const RealOpenMM one = 1.0;
......
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