mirror of https://github.com/QMCPACK/qmcpack.git
Off-by-one errors in splineData size.
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@2630 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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@ -108,7 +108,7 @@ namespace qmcplusplus {
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ptclPool->addParticleSet(plist[ip]);
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psiPool->addFactory(otemp[ip]);
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olist[ip]=otemp[ip]->targetPsi;
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//if(ip%2==1) olist[ip]->reverse();
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if(ip%2==1) olist[ip]->reverse();
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}
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//find the HamiltonianFactory* to be cloned
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@ -184,8 +184,8 @@ namespace qmcplusplus {
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IonTypes.resize(numIons);
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IonPos.resize(numIons);
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}
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myComm->bcast(IonTypes.data(), numIons);
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myComm->bcast(IonPos.data(), 3*numIons);
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myComm->bcast(IonTypes);
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myComm->bcast(IonPos);
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if (TwistAngles.size() != NumTwists)
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TwistAngles.resize(NumTwists);
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myComm->bcast(TwistAngles);
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@ -971,7 +971,6 @@ namespace qmcplusplus {
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}
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myComm->bcast(orbitalSet->kPoints);
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myComm->bcast(orbitalSet->MakeTwoCopies);
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// First, check to see if we have already read this in
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H5OrbSet set(H5FileName, spin, N);
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std::map<H5OrbSet,multi_UBspline_3d_z*>::iterator iter;
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@ -1012,7 +1011,8 @@ namespace qmcplusplus {
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myComm->bcast(ny);
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myComm->bcast(nz);
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if (!root)
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splineData.resize(nx,ny,nz);
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splineData.resize(nx-1,ny-1,nz-1);
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myComm->bcast(splineData);
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Ugrid x_grid, y_grid, z_grid;
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BCtype_z xBC, yBC, zBC;
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