triclinic crystal system

Open chtchelkatchev opened this issue 1 year ago • 3 comments

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...

Nov 25 '24 17:11 chtchelkatchev

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.

Nov 26 '24 07:11 srmnitc

Thank You for quick answer!

Nov 26 '24 07:11 chtchelkatchev

Reopening just to keep track of implementation here.

Nov 26 '24 11:11 srmnitc