scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Off-by-one errors in splineData size. 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@2630 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Ken Esler 2008-04-21 15:37:33 +00:00
parent 11c3f15c35
commit 5cf51c6eb1
2 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/QMCApp/HamiltonianPool.cpp
View File

@ -108,7 +108,7 @@ namespace qmcplusplus {
ptclPool->addParticleSet(plist[ip]);
psiPool->addFactory(otemp[ip]);
olist[ip]=otemp[ip]->targetPsi;
//if(ip%2==1) olist[ip]->reverse();
if(ip%2==1) olist[ip]->reverse();
}
//find the HamiltonianFactory* to be cloned

10
src/QMCWaveFunctions/EinsplineSetBuilder.cpp
View File

@ -184,8 +184,8 @@ namespace qmcplusplus {
IonTypes.resize(numIons);
IonPos.resize(numIons);
}
myComm->bcast(IonTypes.data(), numIons);
myComm->bcast(IonPos.data(), 3*numIons);
myComm->bcast(IonTypes);
myComm->bcast(IonPos);
if (TwistAngles.size() != NumTwists)
TwistAngles.resize(NumTwists);
myComm->bcast(TwistAngles);
@ -971,7 +971,6 @@ namespace qmcplusplus {
}
myComm->bcast(orbitalSet->kPoints);
myComm->bcast(orbitalSet->MakeTwoCopies);
// First, check to see if we have already read this in
H5OrbSet set(H5FileName, spin, N);
std::map<H5OrbSet,multi_UBspline_3d_z*>::iterator iter;
@ -982,7 +981,7 @@ namespace qmcplusplus {
orbitalSet->MultiSpline = iter->second;
return;
}
int nx, ny, nz, bi, ti;
Array<complex<double>,3> splineData, rawData;
if (root) {
@ -1012,7 +1011,8 @@ namespace qmcplusplus {
myComm->bcast(ny);
myComm->bcast(nz);
if (!root)
splineData.resize(nx,ny,nz);
splineData.resize(nx-1,ny-1,nz-1);
myComm->bcast(splineData);
Ugrid x_grid, y_grid, z_grid;
BCtype_z xBC, yBC, zBC;