How to read multiple Atoms objects from a single file using ASE

Question

I am trying to read Atoms objects from the file "data.txt", which contains multiple configurations. Each configuration has a different cell.

a = ase.io.read('data.txt', format = 'vasp')

But my code only reads the first configuration in the file.

What do I do?

Shaun Han · Accepted Answer · 2023-10-07 15:14:57Z

4

Simply add index=':':

images = ase.io.read('data.txt', format = 'vasp', index=':')

answered Oct 7, 2023 at 15:14

Shaun Han

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$\begingroup$ Thank you. It happened that my collaborator directly copied the data from a pdf file. The data had different delimiter, so index=':' wasn't working. Should always check the data file first. $\endgroup$
– user174967
Commented Oct 10, 2023 at 2:34

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