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triclinic crystal system #162

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chtchelkatchev opened this issue Nov 25, 2024 · 3 comments
Open

triclinic crystal system #162

chtchelkatchev opened this issue Nov 25, 2024 · 3 comments
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enhancement New feature or request

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@chtchelkatchev
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Can calphy work with triclinic crystal system? For such a system, a "tri" thermostat in lammps is needed. I see only "iso" and "aniso" in the documentation...
@srmnitc
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srmnitc commented Nov 26, 2024

Correct, at the moment the code in repo only has those two keywords. This is a straightforward implementation. I will mark it, and implement it.

@srmnitc srmnitc added the enhancement New feature or request label Nov 26, 2024
@chtchelkatchev
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Thank You for quick answer!

@srmnitc
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srmnitc commented Nov 26, 2024

Reopening just to keep track of implementation here.

@srmnitc srmnitc reopened this Nov 26, 2024
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@srmnitc @chtchelkatchev