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Stress can not be read from a siesta out file: si.io.siesta.stdoutSileSiesta #832
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What did you try? What table of the stress wasn't read? There are some tests for these things, so I am wondering if you called it wrongly, or the output had other flags? |
Calling without key does not return anything either. |
It's because that MD simulations has the stress tensor duplicated. So you should add Perhaps the sile should figure out if this is an MD simulation, or not, then return it if nothing is valued |
Ah, ok. In principle, it would be nice if there was a reader for out files for MD returning values for each step in the out. |
There already is:
will read the first 10 stresses. |
The "Voigt" reads ok, but the standard stress returns nothing.
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