CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Public Attributes | List of all members
CASM::ConfigEnumStrainParams Struct Reference

#include <ConfigEnumStrain.hh>

Detailed Description

Definition at line 18 of file ConfigEnumStrain.hh.

Public Attributes

DoFKey dof
 Type of strain. More...
 
std::vector< SymRepTools_v2::SubWedge > wedges
 
Eigen::VectorXd min_val
 
Eigen::VectorXd max_val
 
Eigen::VectorXd inc_val
 
bool auto_range = true
 
bool trim_corners = true
 

Member Data Documentation

◆ auto_range

bool CASM::ConfigEnumStrainParams::auto_range = true

Definition at line 43 of file ConfigEnumStrain.hh.

◆ dof

DoFKey CASM::ConfigEnumStrainParams::dof

Type of strain.

Definition at line 20 of file ConfigEnumStrain.hh.

◆ inc_val

Eigen::VectorXd CASM::ConfigEnumStrainParams::inc_val

Definition at line 39 of file ConfigEnumStrain.hh.

◆ max_val

Eigen::VectorXd CASM::ConfigEnumStrainParams::max_val

Definition at line 38 of file ConfigEnumStrain.hh.

◆ min_val

Eigen::VectorXd CASM::ConfigEnumStrainParams::min_val

Definition at line 37 of file ConfigEnumStrain.hh.

◆ trim_corners

bool CASM::ConfigEnumStrainParams::trim_corners = true

If true, fit an ellipsoid inside the grid defined by min_val/max_val and exclude grid points that lie outside the ellipsoid

Definition at line 47 of file ConfigEnumStrain.hh.

◆ wedges

std::vector<SymRepTools_v2::SubWedge> CASM::ConfigEnumStrainParams::wedges

The positive coordinate space defined by the SubWedge axes are a symmetrically unique portion of the strain space. It may require multiple SubWedge to fill strain space, hence the vector.

Note:

  • Symmetry adapted wedges can be obtained from VectorSpaceSymReport::irreducible_wedge
  • The "SubWedge::make_dummy" static function can be used to create a fake SubWedge to generate strain states directly on custom axes

Definition at line 31 of file ConfigEnumStrain.hh.

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