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Rename createBasisSet to createSPOSetBuilder.

This commit is contained in:
Ye Luo 2018-05-04 18:34:46 -05:00
parent 57df627018
commit 4b8c398c7b
4 changed files with 12 additions and 12 deletions
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2
src/QMCWaveFunctions/AGPDeterminantBuilder.cpp
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@ -149,7 +149,7 @@ bool AGPDeterminantBuilder::put(xmlNodePtr cur)
if(mySPOSetBuilderFactory == 0)
{
mySPOSetBuilderFactory = new SPOSetBuilderFactory(targetPtcl,targetPsi,ptclPool);
mySPOSetBuilderFactory->createBasisSet(bPtr,curRoot);
mySPOSetBuilderFactory->createSPOSetBuilder(bPtr,curRoot);
}
// mmorales: this needs to be fixed after changes to BasisSetfactory
// BasisSetBase<RealType>* myBasisSet=mySPOSetBuilderFactory->getBasisSet();

6
src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp
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@ -106,7 +106,7 @@ bool SlaterDetBuilder::put(xmlNodePtr cur)
getNodeName(cname,cur);
if (cname == basisset_tag)
{
mySPOSetBuilderFactory->createBasisSet(cur,curRoot);
mySPOSetBuilderFactory->createSPOSetBuilder(cur,curRoot);
}
else if ( cname == sposet_tag )
{
@ -155,7 +155,7 @@ bool SlaterDetBuilder::put(xmlNodePtr cur)
//{
// mySPOSetBuilderFactory = new SPOSetBuilderFactory(targetPtcl,targetPsi, ptclPool);
// mySPOSetBuilderFactory->setReportLevel(ReportLevel);
// mySPOSetBuilderFactory->createBasisSet(curRoot,curRoot);
// mySPOSetBuilderFactory->createSPOSetBuilder(curRoot,curRoot);
//}
//sposet_builder is defined outside <determinantset/>
@ -185,7 +185,7 @@ bool SlaterDetBuilder::put(xmlNodePtr cur)
spomap[aspo]=aset;
else
{
mySPOSetBuilderFactory->createBasisSet(cur1,curRoot);
mySPOSetBuilderFactory->createSPOSetBuilder(cur1,curRoot);
aset = mySPOSetBuilderFactory->createSPOSet(cur1);
if(aset) spomap[aspo]=aset;
}

14
src/QMCWaveFunctions/SPOSetBuilderFactory.cpp
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@ -122,9 +122,9 @@ bool SPOSetBuilderFactory::put(xmlNodePtr cur)
return true;
}
BasisSetBuilder* SPOSetBuilderFactory::createBasisSet(xmlNodePtr cur,xmlNodePtr rootNode)
BasisSetBuilder* SPOSetBuilderFactory::createSPOSetBuilder(xmlNodePtr cur,xmlNodePtr rootNode)
{
ReportEngine PRE(ClassName,"createBasisSet");
ReportEngine PRE(ClassName,"createSPOSetBuilder");
std::string sourceOpt("ion0");
std::string type("");
std::string name("");
@ -244,7 +244,7 @@ BasisSetBuilder* SPOSetBuilderFactory::createBasisSet(xmlNodePtr cur,xmlNodePtr
PRE.flush();
if(bb==0)
APP_ABORT_TRACE(__FILE__, __LINE__, "SPOSetBuilderFactory::createBasisSet\n BasisSetBuilder creation failed.");
APP_ABORT_TRACE(__FILE__, __LINE__, "SPOSetBuilderFactory::createSPOSetBuilder\n BasisSetBuilder creation failed.");
if(bb == last_builder)
app_log() << " Missing both \"@name\" and \"@type\". Use the last BasisSetBuilder." << std::endl;
@ -292,13 +292,13 @@ SPOSetBase* SPOSetBuilderFactory::createSPOSet(xmlNodePtr cur)
if(tcur!=NULL)
getNodeName(cname,cur);
if(cname==basisset_tag)
bb = createBasisSet(tcur,cur);
bb = createSPOSetBuilder(tcur,cur);
else
bb = createBasisSet(cur,cur);
bb = createSPOSetBuilder(cur,cur);
}
if(bb)
{
app_log()<<" Building SPOset '" << sname << "' with '" << bname << "' basis set."<< std::endl;
app_log()<<" Building SPOSet '" << sname << "' with '" << bname << "' basis set."<< std::endl;
return bb->createSPOSet(cur);
}
else
@ -319,7 +319,7 @@ void SPOSetBuilderFactory::build_sposet_collection(xmlNodePtr cur)
app_log()<<"building sposet collection of type "<<type<< std::endl;
BasisSetBuilder* bb = createBasisSet(cur,cur);
BasisSetBuilder* bb = createSPOSetBuilder(cur,cur);
xmlNodePtr element = parent->children;
int nsposets = 0;
while(element!=NULL)

2
src/QMCWaveFunctions/SPOSetBuilderFactory.h
View File

@ -53,7 +53,7 @@ public:
~SPOSetBuilderFactory();
bool put(xmlNodePtr cur);
BasisSetBuilder* createBasisSet(xmlNodePtr cur, xmlNodePtr rootNode=NULL);
BasisSetBuilder* createSPOSetBuilder(xmlNodePtr cur, xmlNodePtr rootNode=NULL);
SPOSetBase* createSPOSet(xmlNodePtr cur);