"openmmapi/src/ForceImpl.cpp" did not exist on "b06fc4a7a47478beacbaf5cc108f755653bc7abb"
Commit 9d0684dd authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed some compilation and Valgrind warnings

parent dad22074
...@@ -237,7 +237,7 @@ int ReferenceLJCoulombIxn::calculateEwaldIxn( int numberOfAtoms, RealOpenMM** at ...@@ -237,7 +237,7 @@ int ReferenceLJCoulombIxn::calculateEwaldIxn( int numberOfAtoms, RealOpenMM** at
static const RealOpenMM six = 6.0; static const RealOpenMM six = 6.0;
static const RealOpenMM twelve = 12.0; static const RealOpenMM twelve = 12.0;
int kmax = std::max(numRx, std::max(numRy,numRz)); int kmax = (ewald ? std::max(numRx, std::max(numRy,numRz)) : 0);
RealOpenMM factorEwald = -1 / (4*alphaEwald*alphaEwald); RealOpenMM factorEwald = -1 / (4*alphaEwald*alphaEwald);
RealOpenMM SQRT_PI = sqrt(PI); RealOpenMM SQRT_PI = sqrt(PI);
RealOpenMM TWO_PI = 2.0 * PI; RealOpenMM TWO_PI = 2.0 * PI;
......
...@@ -3,7 +3,7 @@ ...@@ -3,7 +3,7 @@
#if !defined(MEXP) #if !defined(MEXP)
#ifdef __GNUC__ #ifdef __GNUC__
#warning "MEXP is not defined. I assume MEXP is 19937." // #warning "MEXP is not defined. I assume MEXP is 19937."
#endif #endif
#define MEXP 19937 #define MEXP 19937
#endif #endif
......
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