diff --git a/src/QMCApp/QMCDriverFactory.cpp b/src/QMCApp/QMCDriverFactory.cpp index 7f0d602c3..c231d0641 100644 --- a/src/QMCApp/QMCDriverFactory.cpp +++ b/src/QMCApp/QMCDriverFactory.cpp @@ -109,6 +109,8 @@ bool QMCDriverFactory::setQMCDriver(int curSeries, xmlNodePtr cur) WhatToDo[GPU_MODE ] = (gpu_tag == "yes"); #endif OhmmsInfo::flush(); + + string wf_test_name("wftest"); QMCRunType newRunType = DUMMY_RUN; if(curName != "qmc") qmc_mode=curName; @@ -141,16 +143,22 @@ bool QMCDriverFactory::setQMCDriver(int curSeries, xmlNodePtr cur) { newRunType=RMC_RUN; } + else if(qmc_mode.find("vmc")setWaveFunctionNode(psiPool->getWaveFunctionNode("psi0")); qmcDriver=opt; } - else + else if(curRunType == WF_TEST_RUN) { - WARNMSG("Testing wavefunctions. Creating WaveFunctionTester for testing"); + app_log() << "Testing wavefunctions." << endl; qmcDriver = new WaveFunctionTester(*qmcSystem,*primaryPsi,*primaryH, *ptclPool,*psiPool); } + else + { + APP_ABORT("Unhandled run type: " << curRunType); + } if(curQmcModeBits[MULTIPLE_MODE]) { while(targetH.size()) diff --git a/src/QMCApp/QMCDriverFactory.h b/src/QMCApp/QMCDriverFactory.h index 31db0eb78..8aa76494f 100644 --- a/src/QMCApp/QMCDriverFactory.h +++ b/src/QMCApp/QMCDriverFactory.h @@ -47,6 +47,7 @@ struct QMCDriverFactory: public MPIObjectBase VMC_OPT_RUN, /*!< Optimization with vmc blocks */ LINEAR_OPTIMIZE_RUN, CS_LINEAR_OPTIMIZE_RUN, + WF_TEST_RUN }; /*! enum to set the bit to determine the QMC mode */