[ase-users] How to check if a POSCAR file has constraints?
fabian
Fabian.T89 at web.de
Wed Jan 31 15:55:36 CET 2018
Dear all,
I want to check if a certain POSCAR file has constraints or not.
I tried it like this:
atoms=read(FILENAME)
if atoms.constraints is None:
pass
else:
do something
but this does not work it seems. Even if no constraints are present i
still come out of the else statement.
On a side not...what library is ASE using to display the ase gui ? I
have no menu entrys and the gui is broken
under ubuntu artfull.
All the best
fabian
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