add_H_and_Psi(QMCHamiltonian *h, TrialWaveFunction *psi) override | QMCDriver | virtual |
addObservable(const std::string &aname) | QMCDriver | inline |
addWalkers(int nwalkers) | QMCDriver | protected |
allow_traces | QMCDriver | |
allow_walker_logs | QMCDriver | |
AppendRun | QMCDriver | protected |
branchEngine | QMCDriver | protected |
BranchEngineType typedef | QMCDriverInterface | |
Buffer_t typedef | QMCDriver | |
checkBasic | WaveFunctionTester | private |
checkClone | WaveFunctionTester | private |
checkEloc | WaveFunctionTester | private |
checkGradientAtConfiguration(MCWalkerConfiguration::Walker_t *W1, std::stringstream &fail_log, bool &ignore) | WaveFunctionTester | private |
checkGradients(int lower_iat, int upper_iat, ParticleSet::ParticleGradient &G, ParticleSet::ParticleLaplacian &L, ParticleSet::ParticleGradient &G_fd, ParticleSet::ParticleLaplacian &L_fd, std::stringstream &log, int indent=0) | WaveFunctionTester | private |
checkHamPbyP | WaveFunctionTester | private |
checkRatio | WaveFunctionTester | private |
checkRatioV | WaveFunctionTester | private |
checkSlaterDet | WaveFunctionTester | private |
checkSlaterDetOption | WaveFunctionTester | private |
ClassName | MPIObjectBase | protected |
ComplexType typedef | QMCTraits | |
computeNumericalGrad(RealType delta, ParticleSet::ParticleGradient &G_fd, ParticleSet::ParticleLaplacian &L_fd) | WaveFunctionTester | private |
current() const | QMCDriver | inline |
CurrentStep | QMCDriver | protected |
deltaParam | WaveFunctionTester | private |
deltaR | WaveFunctionTester | private |
DeltaVsError | WaveFunctionTester | private |
DIM enum value | QMCTraits | |
DIM_VGL enum value | QMCTraits | |
drift | QMCDriver | protected |
DriftModifier | QMCDriver | protected |
DumpConfig | QMCDriver | protected |
Estimators | QMCDriver | |
finalize(int block, bool dumpwalkers=true) | QMCDriver | protected |
fout | WaveFunctionTester | private |
FullPrecRealType typedef | QMCDriver | |
FullPrecValueType typedef | QMCTraits | |
get_root_name() const override | QMCDriver | inlineprotectedvirtual |
getBranchEngine() override | QMCDriver | inlinevirtual |
getCommRef() const | MPIObjectBase | inline |
getCommunicator() const | MPIObjectBase | inline |
getDriverMode() override | QMCDriver | inlinevirtual |
getEngineName() override | QMCDriver | inlinevirtual |
getGroupID() const | MPIObjectBase | inline |
getLastRotationName(std::string RootName) | QMCDriver | protected |
getMPI() const | MPIObjectBase | inline |
getName() const | MPIObjectBase | inline |
getObservable(int i) | QMCDriver | inline |
getQMCNode() | QMCDriver | |
getRng(int i) override | QMCDriver | inlinevirtual |
getRngRefs() const | QMCDriver | inline |
getRotationName(std::string RootName) | QMCDriver | protected |
getRunType() override | WaveFunctionTester | inlineprivatevirtual |
GradType typedef | QMCTraits | |
H | QMCDriver | protected |
H1 | QMCDriver | protected |
h5FileRoot | QMCDriver | protected |
IndexType typedef | QMCTraits | |
is_manager() const | MPIObjectBase | inline |
IsQMCDriver | QMCDriver | protected |
kDelay | QMCDriver | protected |
LogValue typedef | WaveFunctionTester | |
m_oneover2tau | QMCDriver | protected |
m_param | QMCDriver | protected |
m_sqrttau | QMCDriver | protected |
MaxCPUSecs | QMCDriver | protected |
mcwalkerNodePtr | QMCDriver | protected |
mpi_comm_type typedef | MPIObjectBase | |
MPIObjectBase(Communicate *c) | MPIObjectBase | |
myComm | MPIObjectBase | protected |
MyCounter | QMCDriver | protected |
myName | MPIObjectBase | protected |
myNode | WaveFunctionTester | private |
nAccept | QMCDriver | protected |
nBlocks | QMCDriver | protected |
nBlocksBetweenRecompute | QMCDriver | protected |
ndim | WaveFunctionTester | private |
nReject | QMCDriver | protected |
nSamplesPerThread | QMCDriver | protected |
nSteps | QMCDriver | protected |
nStepsBetweenSamples | QMCDriver | protected |
nSubSteps | QMCDriver | protected |
nTargetPopulation | QMCDriver | protected |
nTargetSamples | QMCDriver | protected |
nTargetWalkers | QMCDriver | protected |
nWarmupSteps | QMCDriver | protected |
operator=(const WaveFunctionTester &)=delete | WaveFunctionTester | private |
outputDeltaVsError | WaveFunctionTester | private |
Period4CheckPoint | QMCDriver | protected |
Period4CheckProperties | QMCDriver | protected |
Period4ConfigDump | QMCDriver | protected |
Period4WalkerDump | QMCDriver | protected |
PosType typedef | QMCTraits | |
printEloc() | WaveFunctionTester | private |
process(xmlNodePtr cur) override | QMCDriver | virtual |
project_data_ | QMCDriver | protected |
PropertySetType typedef | QMCTraits | |
Psi | QMCDriver | protected |
Psi1 | QMCDriver | protected |
PtclGrpIndexes typedef | QMCTraits | |
PtclPool | WaveFunctionTester | private |
put(xmlNodePtr q) override | WaveFunctionTester | virtual |
putQMCInfo(xmlNodePtr cur) | QMCDriver | protected |
putTraces(xmlNodePtr txml) override | QMCDriver | inlinevirtual |
putWalkerLogs(xmlNodePtr wlxml) override | QMCDriver | inlinevirtual |
putWalkers(std::vector< xmlNodePtr > &wset) override | QMCDriver | virtual |
qmc_driver_mode | QMCDriver | |
QMC_MULTIPLE enum value | QMCDriver | |
QMC_OPTIMIZE enum value | QMCDriver | |
QMC_UPDATE_MODE enum value | QMCDriver | |
QMC_WARMUP enum value | QMCDriver | |
QMCDriver(const ProjectData &project_data, MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, Communicate *comm, const std::string &QMC_driver_type, bool enable_profiling=false) | QMCDriver | |
qmcNode | QMCDriver | protected |
QMCType | QMCDriver | protected |
QTBase typedef | QMCTraits | |
QTFull typedef | QMCTraits | |
rank() const | MPIObjectBase | inline |
RealType typedef | QMCTraits | |
recordBlock(int block) override | QMCDriver | protectedvirtual |
requestTraces(bool traces) override | QMCDriver | inlinevirtual |
requestWalkerLogs(bool allow_walker_logs_) override | QMCDriver | inlinevirtual |
ResetRandom | QMCDriver | protected |
Rng | QMCDriver | protected |
RootName | QMCDriver | protected |
rotation | QMCDriver | protected |
run() override | WaveFunctionTester | virtual |
runBasicTest() | WaveFunctionTester | private |
runCloneTest() | WaveFunctionTester | private |
runDerivCloneTest() | WaveFunctionTester | private |
runDerivNLPPTest() | WaveFunctionTester | private |
runDerivTest() | WaveFunctionTester | private |
runGradSourceTest() | WaveFunctionTester | private |
runNodePlot() | WaveFunctionTester | private |
runRatioTest() | WaveFunctionTester | private |
runRatioTest2() | WaveFunctionTester | private |
runRatioV() | WaveFunctionTester | private |
runZeroVarianceTest() | WaveFunctionTester | private |
setBranchEngine(std::unique_ptr< BranchEngineType > &&be) override | QMCDriver | inline |
qmcplusplus::QMCDriverInterface::setBranchEngine(std::unique_ptr< BranchEngineType > &&be) | QMCDriverInterface | inlinevirtual |
setName(const std::string &aname) | MPIObjectBase | inline |
setStatus(const std::string &aname, const std::string &h5name, bool append) override | QMCDriver | virtual |
setTau(RealType i) | QMCDriver | inline |
setUpdateMode(bool pbyp) override | QMCDriver | inlinevirtual |
setValue(const std::string &aname, PDT x) | QMCDriver | inline |
setWalkerOffsets() | QMCDriver | |
sourceName | WaveFunctionTester | private |
SpinMass | QMCDriver | protected |
Tau | QMCDriver | protected |
TensorType typedef | QMCTraits | |
toleranceParam | WaveFunctionTester | private |
Traces | QMCDriver | |
traces_xml | QMCDriver | |
ValueType typedef | QMCTraits | |
W | QMCDriver | protected |
walker_logs_xml | QMCDriver | |
Walker_t typedef | QMCDriver | |
WaveFunctionTester(const ProjectData &project_data, MCWalkerConfiguration &w, TrialWaveFunction &psi, QMCHamiltonian &h, ParticleSetPool &ptclPool, Communicate *comm) | WaveFunctionTester | |
WaveFunctionTester(const WaveFunctionTester &)=delete | WaveFunctionTester | private |
wftricks | WaveFunctionTester | private |
wlog_manager_ | QMCDriver | |
wOut | QMCDriver | protected |
~QMCDriver() override | QMCDriver | |
~QMCDriverInterface() | QMCDriverInterface | inlinevirtual |
~WaveFunctionTester() override | WaveFunctionTester | |