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WalkerProperties Struct Reference
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Public Types

enum  Indexes : int16_t {
  LOGPSI = 0, SIGN, UMBRELLAWEIGHT, R2ACCEPTED,
  R2PROPOSED, DRIFTSCALE, ALTERNATEENERGY, LOCALENERGY,
  LOCALPOTENTIAL, NUMPROPERTIES, MAXPROPERTIES = WALKER_MAX_PROPERTIES
}
 an enum denoting index of physical properties More...
 

Detailed Description

Definition at line 19 of file WalkerProperties.h.

Member Enumeration Documentation

◆ Indexes

enum Indexes : int16_t

an enum denoting index of physical properties

Todo:
: this enum and the handling of "Properties" through the class hierarchy is hot garbage. Replace, for now we're just making it safe.

LOCALPOTENTIAL being defined last of the Walker "Properties" is special there is likely to be some code lurking that depends on it. Keep until this mess is removed.

Believe it or not,you need to modify ParticleSet::initPropertyList to match the walker enum if you add to it. Don't, actually work on fixing this.

Enumerator
LOGPSI 

log(std::abs(psi)) instead of square of the many-body wavefunction $|\Psi|^2$

SIGN 

value of the many-body wavefunction $\Psi(\{R\})$

UMBRELLAWEIGHT 

sum of wavefunction ratios for multiple H and Psi

R2ACCEPTED 

r^2 for accepted moves

R2PROPOSED 

r^2 for proposed moves

DRIFTSCALE 

scaling value for the drift

ALTERNATEENERGY 

alternatelocal energy, the sum of all the components

LOCALENERGY 

local energy, the sum of all the components

LOCALPOTENTIAL 

local potential energy = local energy - kinetic energy

NUMPROPERTIES 
MAXPROPERTIES 

the number of properties

Definition at line 32 of file WalkerProperties.h.

32  : int16_t
33  {
34  LOGPSI = 0, /*!< log(std::abs(psi)) instead of square of the many-body wavefunction \f$|\Psi|^2\f$ */
35  SIGN, /*!< value of the many-body wavefunction \f$\Psi(\{R\})\f$ */
36  UMBRELLAWEIGHT, /*!< sum of wavefunction ratios for multiple H and Psi */
37  R2ACCEPTED, /*!< r^2 for accepted moves */
38  R2PROPOSED, /*!< r^2 for proposed moves */
39  DRIFTSCALE, /*!< scaling value for the drift */
40  ALTERNATEENERGY, /*!< alternatelocal energy, the sum of all the components */
41  LOCALENERGY, /*!< local energy, the sum of all the components */
42  LOCALPOTENTIAL, /*!< local potential energy = local energy - kinetic energy */
43  NUMPROPERTIES,
44  MAXPROPERTIES = WALKER_MAX_PROPERTIES /*!< the number of properties */
45  };
The documentation for this struct was generated from the following file: