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specified binary path: /users/morgandy/software/FHIaims/build/aims.230629.scalapack.mpi.x
atoms argument not specified, defaulting to all target atoms in geometry.in
specified atom indices: [1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
Traceback (most recent call last):
File "/pfs/lustrep2/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/bin/deltascf", line 6, in <module>
sys.exit(cli())
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/core.py", line 1130, in __call__
return self.main(*args, **kwargs)
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/core.py", line 1055, in main
rv = self.invoke(ctx)
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/core.py", line 1657, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/core.py", line 1404, in invoke
return ctx.invoke(self.callback, **ctx.params)
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/core.py", line 760, in invoke
return __callback(*args, **kwargs)
File "/users/morgandy/.cache/pypoetry/virtualenvs/deltascf-aims-Bw0zr6c1-py3.9/lib/python3.9/site-packages/click/decorators.py", line 26, in new_func
return f(get_current_context(), *args, **kwargs)
File "/pfs/lustrep2/users/morgandy/software/deltascf-aims/delta_scf/cli.py", line 238, in projector
projector_wrapper(
File "/pfs/lustrep2/users/morgandy/software/deltascf-aims/delta_scf/aims_dscf.py", line 444, in projector_wrapper
proj.setup_init_1(basis_set, species, ground_control)
File "/pfs/lustrep2/users/morgandy/software/deltascf-aims/delta_scf/force_occupation.py", line 501, in setup_init_1
) = self.add_partial_charge(
File "/pfs/lustrep2/users/morgandy/software/deltascf-aims/delta_scf/force_occupation.py", line 326, in add_partial_charge
for j, line in enumerate(content):
TypeError: 'NoneType' object is not iterable```
The text was updated successfully, but these errors were encountered:
The text was updated successfully, but these errors were encountered: