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spirit-code / spirit

Atomistic Spin Simulation Framework
http://spirit-code.github.io
MIT License
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Geometry definition #592

Closed zangyuzhe closed 3 years ago

zangyuzhe commented 3 years ago

Hi, I found there is no geometry configuration option in the spirit? Is it possible to define a disk and the corrospond interactions in a disk as well?

GPMueller commented 3 years ago

You can find the available geometry configuration options in the geometry input documentation. You can specify the disk you want to simulate manually, as a single large unit cell (if you do so, I would recommend to script this).

Alternatively, you can build with support for defects (the SPIRIT_ENABLE_DEFECTS cmake option) and set all the atoms outside a given radius to atom-type -1 (vacancies), using this API function: void Configuration_Set_Atom_Type(State *state, int type, const float position[3]=defaultPos, const float r_cut_rectangular[3]=defaultRect, float r_cut_cylindrical=-1, float r_cut_spherical=-1, bool inverted=false, int idx_image=-1, int idx_chain=-1). See also the defects input documentation.

GPMueller commented 3 years ago

Dear @zangyuzhe do you have any follow-up questions or can we close this issue?

zangyuzhe commented 3 years ago

Dear @GPMueller,

Thank you for your reply, it answears my question perfectly. I don't have any further question.