QMCPACK
Static Public Member Functions | Static Private Attributes | List of all members
MinimalHamiltonianPool Class Reference
+ Collaboration diagram for MinimalHamiltonianPool:

Static Public Member Functions

static HamiltonianPool make_hamWithEE (Communicate *comm, ParticleSetPool &particle_pool, WaveFunctionPool &wavefunction_pool)
 
static HamiltonianPool makeHamWithEEEI (Communicate *comm, ParticleSetPool &particle_pool, WaveFunctionPool &wavefunction_pool)
 

Static Private Attributes

static constexpr const char *const hamiltonian_xml
 
static constexpr const char *const hamiltonian_eeei_xml
 

Detailed Description

Definition at line 22 of file MinimalHamiltonianPool.h.

Member Function Documentation

◆ make_hamWithEE()

static HamiltonianPool make_hamWithEE ( Communicate *  comm,
ParticleSetPool &  particle_pool,
WaveFunctionPool &  wavefunction_pool 
)
inlinestatic

Definition at line 39 of file MinimalHamiltonianPool.h.

References qmcplusplus::comm, qmcplusplus::doc, Libxml2Document::getRoot(), MinimalHamiltonianPool::hamiltonian_xml, Libxml2Document::parseFromString(), qmcplusplus::particle_pool, HamiltonianPool::put(), and qmcplusplus::wavefunction_pool.

Referenced by SetupPools::SetupPools(), qmcplusplus::TEST_CASE(), and VMCBatchedTest::testCalcDefaultLocalWalkers().

42  {
43  HamiltonianPool hpool(particle_pool, wavefunction_pool, comm);
44  Libxml2Document doc;
45  doc.parseFromString(hamiltonian_xml);
46 
47  xmlNodePtr root = doc.getRoot();
48  hpool.put(root);
49 
50  return hpool;
51  }
Libxml2Document::parseFromString
bool parseFromString(const std::string_view data)
Definition: Libxml2Doc.cpp:204
Libxml2Document::getRoot
xmlNodePtr getRoot()
Definition: Libxml2Doc.h:88
Libxml2Document
class that handles xmlDoc
Definition: Libxml2Doc.h:76
qmcplusplus::MinimalHamiltonianPool::hamiltonian_xml
static constexpr const char *const hamiltonian_xml
Definition: MinimalHamiltonianPool.h:25

◆ makeHamWithEEEI()

static HamiltonianPool makeHamWithEEEI ( Communicate *  comm,
ParticleSetPool &  particle_pool,
WaveFunctionPool &  wavefunction_pool 
)
inlinestatic

Definition at line 53 of file MinimalHamiltonianPool.h.

References qmcplusplus::comm, qmcplusplus::doc, Libxml2Document::getRoot(), MinimalHamiltonianPool::hamiltonian_eeei_xml, Libxml2Document::parseFromString(), qmcplusplus::particle_pool, HamiltonianPool::put(), and qmcplusplus::wavefunction_pool.

Referenced by qmcplusplus::TEST_CASE().

56  {
57  HamiltonianPool hpool(particle_pool, wavefunction_pool, comm);
58  Libxml2Document doc;
59  doc.parseFromString(hamiltonian_eeei_xml);
60 
61  xmlNodePtr root = doc.getRoot();
62  hpool.put(root);
63 
64  return hpool;
65  }
Libxml2Document::parseFromString
bool parseFromString(const std::string_view data)
Definition: Libxml2Doc.cpp:204
Libxml2Document::getRoot
xmlNodePtr getRoot()
Definition: Libxml2Doc.h:88
qmcplusplus::MinimalHamiltonianPool::hamiltonian_eeei_xml
static constexpr const char *const hamiltonian_eeei_xml
Definition: MinimalHamiltonianPool.h:31
Libxml2Document
class that handles xmlDoc
Definition: Libxml2Doc.h:76

Member Data Documentation

◆ hamiltonian_eeei_xml

constexpr const char* const hamiltonian_eeei_xml
staticprivate
Initial value:
= R"(
<hamiltonian name="h0" type="generic" target="e">
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
<pairpot type="coulomb" name="ElecIon" source="ion" target="e"/>
</hamiltonian>
)"

Definition at line 31 of file MinimalHamiltonianPool.h.

Referenced by MinimalHamiltonianPool::makeHamWithEEEI().

◆ hamiltonian_xml

constexpr const char* const hamiltonian_xml
staticprivate
Initial value:
= R"(
<hamiltonian name="h0" type="generic" target="e">
<pairpot type="coulomb" name="ElecElec" source="e" target="e"/>
</hamiltonian>
)"

Definition at line 25 of file MinimalHamiltonianPool.h.

Referenced by MinimalHamiltonianPool::make_hamWithEE().

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