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ppap4lmp
0.7.2
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AddInertiaMoment adds inertia moment to an Element object. More...
#include <add_inertia_moment.h>
Public Member Functions | |
| AddInertiaMoment (const ElPtr &elem) | |
| Constructor of AddInertiaMoment class. More... | |
Public Member Functions inherited from Adder | |
| Updater ()=default | |
| Constructor of Updater class. More... | |
Public Member Functions inherited from Updater | |
| Updater ()=default | |
| Constructor of Updater class. More... | |
| void | compute (const ElPtr &elem, const int elementid, Json &data) |
| Managing computation to update Element::data. More... | |
| void | remove_from_skippable_elementids (const int elementid) |
| Remove Element::elementid from skippable_elementids. More... | |
| const ShPtr< Generator > & | get_ext_generator () |
| Get ext_generator of this object. More... | |
Protected Member Functions | |
| virtual void | compute_impl (Json &data, JsonToVoidFunc check_required_keys, JsonToBoolFunc check_optional_keys) override |
| This method overrides Updater::compute_impl. More... | |
Protected Member Functions inherited from Adder | |
| virtual void | compute_body (const ElPtr &elem, Json &data) override |
| Compute properties and add them to Element::data given as a mutable reference. More... | |
Protected Member Functions inherited from Updater | |
| virtual void | compute_common (const ElPtr &elem, Json &data) |
| Common part of compute_body. More... | |
Additional Inherited Members | |
Protected Attributes inherited from Updater | |
| ShPtr< Generator > | ext_generator |
AddInertiaMoment adds inertia moment to an Element object.
An object of this class computes elements of 3x3 matrix of inertia moment (a.k.a. inertia matrix, inertia tensor) of a parent Element object from masses and positions of a child Element object, and adds it to the parent object. The object of this class owns the child object as ext_generator, and is appended to the parent object using its Element::append_updater. An example of child is an Element object containing data for atoms, and an example of parent* is an Element object containing data for molecules.
The terms child and parent are used because a parent object consists of a child object. In terms of time series, however, the child is created earlier than the parent.
About usage in Python, please see pybind::py_add_inertia_moment.
Definition at line 34 of file add_inertia_moment.h.
| AddInertiaMoment::AddInertiaMoment | ( | const ElPtr & | elem | ) |
Constructor of AddInertiaMoment class.
| elem | A child Element object. This parameter is assigned to ext_generator.
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Definition at line 16 of file add_inertia_moment.cpp.
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overrideprotectedvirtual |
This method overrides Updater::compute_impl.
I_xx : floatI_yy : floatI_zz : floatI_xy : floatI_xz : floatI_yz : float atom-ids : array of integersxu : floatyu : floatzu : floatatom-weights : array of floats (optional) Implements Updater.
Definition at line 24 of file add_inertia_moment.cpp.