TestSOECPotential Class Reference

Collaboration diagram for TestSOECPotential:

Static Public Member Functions
static void	copyGridUnrotatedForTest (SOECPotential &so_ecp)
static bool	didGridChange (SOECPotential &so_ecp)
static void	addVPs (const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< ParticleSet > &p_list)
static void	mw_evaluateImpl (SOECPotential &so_ecp, const RefVectorWithLeader< OperatorBase > &o_list, const RefVectorWithLeader< TrialWaveFunction > &twf_list, const RefVectorWithLeader< ParticleSet > &p_list, const std::optional< ListenerOption< Real >> listener_opt, bool keep_grid)
static void	evalFast (SOECPotential &so_ecp, ParticleSet &elec, OperatorBase::Return_t &value)

Private Types
using	Real = QMCTraits::RealType

Detailed Description

Definition at line 31 of file test_SOECPotential.cpp.

Member Typedef Documentation

Real

using Real = QMCTraits::RealType

private

Definition at line 33 of file test_SOECPotential.cpp.

Member Function Documentation

addVPs()

static void addVPs ( const RefVectorWithLeader< OperatorBase > &  o_list, const RefVectorWithLeader< ParticleSet > &  p_list  )

inlinestatic

Definition at line 44 of file test_SOECPotential.cpp.

References RefVectorWithLeader< T >::getCastedElement(), and qmcplusplus::pset.

Referenced by qmcplusplus::doSOECPotentialTest().

  {
    for (size_t iw = 0; iw < o_list.size(); iw++)
    {
      auto& sopp = o_list.getCastedElement<SOECPotential>(iw);
      auto& pset = p_list[iw];
      for (auto& uptr_comp : sopp.ppset_)
        uptr_comp.get()->initVirtualParticle(pset);
    }
  }

copyGridUnrotatedForTest()

static void copyGridUnrotatedForTest ( SOECPotential &  so_ecp )

inlinestatic

Definition at line 36 of file test_SOECPotential.cpp.

References SOECPotential::ppset_.

Referenced by qmcplusplus::doSOECPotentialTest(), and TestSOECPotential::evalFast().

  {
    so_ecp.ppset_[0]->rrotsgrid_m_ = so_ecp.ppset_[0]->sgridxyz_m_;
  }

didGridChange()

static bool didGridChange ( SOECPotential &  so_ecp )

inlinestatic

Definition at line 40 of file test_SOECPotential.cpp.

References SOECPotential::ppset_.

Referenced by qmcplusplus::doSOECPotentialTest().

  {
    return so_ecp.ppset_[0]->rrotsgrid_m_ != so_ecp.ppset_[0]->sgridxyz_m_;
  }

evalFast()

static void evalFast ( SOECPotential &  so_ecp, ParticleSet &  elec, OperatorBase::Return_t &  value  )

inlinestatic

Definition at line 64 of file test_SOECPotential.cpp.

References TestSOECPotential::copyGridUnrotatedForTest(), SOECPotential::evaluateImpl(), OperatorBase::getValue(), and SOECPotential::ppset_.

Referenced by qmcplusplus::doSOECPotentialTest().

  {
    copyGridUnrotatedForTest(so_ecp);
    for (auto& uptr_comp : so_ecp.ppset_)
      uptr_comp.get()->initVirtualParticle(elec);
    so_ecp.evaluateImpl(elec, true);
    value = so_ecp.getValue();
  }

mw_evaluateImpl()

static void mw_evaluateImpl ( SOECPotential &  so_ecp, const RefVectorWithLeader< OperatorBase > &  o_list, const RefVectorWithLeader< TrialWaveFunction > &  twf_list, const RefVectorWithLeader< ParticleSet > &  p_list, const std::optional< ListenerOption< Real >>  listener_opt, bool  keep_grid  )

inlinestatic

Definition at line 54 of file test_SOECPotential.cpp.

References SOECPotential::mw_evaluateImpl().

Referenced by qmcplusplus::doSOECPotentialTest().

  {
    so_ecp.mw_evaluateImpl(o_list, twf_list, p_list, listener_opt, keep_grid);
  }

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The documentation for this class was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCHamiltonians/tests/test_SOECPotential.cpp