ASE - Public Room Timeline

	ASE	204 Members
	Atomic Simulation Environment — https://wiki.fysik.dtu.dk/ase/ — Channel for discussions, support, and development of ASE	3 Servers

Sender	Message	Time
18 Dec 2024
Robert Warmbier	Yepp.	16:25:31
Tristan Maxson	Robert Warmbier: No promises this is any use for you, but since it sounds like you are going in a similar direction with something, this was my solution for it. Admittedly it is not well thought out, but it worked for me. https://gitlab.com/-/snippets/4780870	20:57:46
19 Dec 2024
Robert Warmbier	thanks. I'll have a look	05:29:50
Toma Susi	Orthogonal surfaces is all we do for abTEM!	05:37:37
23 Dec 2024
tinywater_123	I met a issue about structural relaxation. If i FixedPlane, and I need ExpCellFilter also, it will be wrong with this "RuntimeError: VASP requires that the direction of FixedPlane constraints is parallel with one of the cell axis" when I output this structure by atoms.atoms.write(filename='./out.vasp')	13:18:35