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CrystalGeometry Class Reference
Defines the geometry of a crystal system This includes a basic definition of the crystal lattice, via Bravais vectors and a CrystalClass object defining the crystal symmetry as well as the definition of the geometry of each slip system. More...
Detailed Description
Defines the geometry of a crystal system This includes a basic definition of the crystal lattice, via Bravais vectors and a CrystalClass object defining the crystal symmetry as well as the definition of the geometry of each slip system.
#include <CrystalGeometry.h>
Inheritance diagram for CrystalGeometry:
Public Member Functions | |
| CrystalGeometry (const OptionSet &options) | |
| Setup from parameter set. | |
| CrystalGeometry (const OptionSet &options, const R2 &cclass, const Vec &lattice_vectors) | |
| Alternate constructor not relying on options. | |
| Vec | a1 () const |
| accessor for the first lattice vector | |
| Vec | a2 () const |
| accessor for the second lattice vector | |
| Vec | a3 () const |
| accessor for the third lattice vector | |
| Vec | b1 () const |
| accessor for the first reciprocal lattice vector | |
| Vec | b2 () const |
| accessor for the second reciprocal lattice vector | |
| Vec | b3 () const |
| accessor for the third reciprocal lattice vector | |
| Size | nslip () const |
| Total number of slip systems. | |
| Size | nslip_groups () const |
| Number of slip groups. | |
| Size | nslip_in_group (Size i) const |
| Number of slip systems in a given group. | |
| const Vec & | cartesian_slip_directions () const |
| Accessor for the slip directions. | |
| const Vec & | cartesian_slip_planes () const |
| Accessor for the slip planes. | |
| const Scalar & | burgers () const |
| Accessor for the burgers vector. | |
| const R2 & | A () const |
| Accessor for the full Schmid tensors. | |
| const SR2 & | M () const |
| Accessor for the symmetric Schmid tensors. | |
| const WR2 & | W () const |
| Accessor for the skew-symmetric Schmid tensors. | |
| const R2 & | symmetry_operators () const |
| Accessor for the crystal class symmetry operators. | |
| template<class Derived , typename = typename std::enable_if_t<std::is_base_of_v<TensorBase<Derived>, Derived>>> | |
| Derived | slip_slice (const Derived &tensor, Size grp) const |
| Slice a Tensor to provide only the batch associated with a slip system. | |
 Public Member Functions inherited from Data | |
| Data (const OptionSet &options) | |
| Construct a new Data object. | |
| const std::vector< Data * > & | registered_data () const |
| All the registered data objects. | |
| Public Member Functions inherited from NEML2Object | |
| NEML2Object (const OptionSet &options) | |
| Construct a new NEML2Object object. | |
| virtual | ~NEML2Object ()=default |
| const OptionSet & | input_options () const |
| virtual void | setup () |
| Setup this object. | |
| const std::string & | name () const |
| A readonly reference to the object's name. | |
| const std::string & | type () const |
| A readonly reference to the object's type. | |
| const std::string & | path () const |
| A readonly reference to the object's path. | |
| const std::string & | doc () const |
| A readonly reference to the object's docstring. | |
| template<typename T = NEML2Object> | |
| const T * | host () const |
| Get a readonly pointer to the host. | |
| template<typename T = NEML2Object> | |
| T * | host () |
| Get a writable pointer to the host. | |
| Public Member Functions inherited from BufferStore | |
| BufferStore (const OptionSet &options, NEML2Object *object) | |
| const Storage< std::string, TensorValueBase > & | named_buffers () const |
| Storage< std::string, TensorValueBase > & | named_buffers () |
| template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<TensorBase<T>, T>>> | |
| TensorValue< T > & | get_buffer (const std::string &name) |
| }@ | |
Static Public Member Functions | |
| static OptionSet | expected_options () |
| Input options. | |
| Static Public Member Functions inherited from Data | |
| static OptionSet | expected_options () |
| Static Public Member Functions inherited from NEML2Object | |
| static OptionSet | expected_options () |
Additional Inherited Members | |
| Protected Member Functions inherited from Data | |
| template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<Data, T>>> | |
| T & | register_data (const std::string &name) |
| Protected Member Functions inherited from BufferStore | |
| virtual void | send_buffers_to (const torch::TensorOptions &options) |
Send all buffers to options. | |
| template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<TensorBase<T>, T>>> | |
| const T & | declare_buffer (const std::string &name, const T &rawval) |
| Declare a buffer. | |
| template<typename T , typename = typename std::enable_if_t<std::is_base_of_v<TensorBase<T>, T>>> | |
| const T & | declare_buffer (const std::string &name, const std::string &input_option_name) |
| Declare a buffer. | |
| Protected Attributes inherited from Data | |
| std::vector< Data * > | _registered_data |
| Registered Data objects. | |
Constructor & Destructor Documentation
◆ CrystalGeometry() [1/2]
| CrystalGeometry | ( | const OptionSet & | options | ) |
Setup from parameter set.
◆ CrystalGeometry() [2/2]
Alternate constructor not relying on options.
Member Function Documentation
◆ A()
◆ a1()
| Vec a1 | ( | ) | const |
accessor for the first lattice vector
◆ a2()
| Vec a2 | ( | ) | const |
accessor for the second lattice vector
◆ a3()
| Vec a3 | ( | ) | const |
accessor for the third lattice vector
◆ b1()
| Vec b1 | ( | ) | const |
accessor for the first reciprocal lattice vector
◆ b2()
| Vec b2 | ( | ) | const |
accessor for the second reciprocal lattice vector
◆ b3()
| Vec b3 | ( | ) | const |
accessor for the third reciprocal lattice vector
◆ burgers()
◆ cartesian_slip_directions()
◆ cartesian_slip_planes()
◆ expected_options()
|
static |
Input options.
◆ M()
◆ nslip()
| Size nslip | ( | ) | const |
Total number of slip systems.
◆ nslip_groups()
| Size nslip_groups | ( | ) | const |
Number of slip groups.
◆ nslip_in_group()
◆ slip_slice()
Slice a Tensor to provide only the batch associated with a slip system.
