Dimer example not running
When running the example dimer-self-diffusion.vm
, no matter in which evaluation mode, I get this error:
Traceback (most recent call last):
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 303, in wrapper
return func(*args, **kwargs)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/cli/__init__.py", line 38, in texts
clargs.func(clargs)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/cli/run_model.py", line 163, in main
evaluate_prog(prog)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 305, in wrapper
process_error(err)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 293, in process_error
raise err.__cause__
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 208, in wrapper
return func(*args, **kwargs)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/typemap.py", line 116, in wrapper
return checktype_(func(obj), obj.type_)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 60, in program_value
vals = [p.value for p in get_children_of_type('Print', self) if p.value]
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 60, in <listcomp>
vals = [p.value for p in get_children_of_type('Print', self) if p.value]
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 305, in wrapper
process_error(err)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 293, in process_error
raise err.__cause__
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 208, in wrapper
return func(*args, **kwargs)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/typemap.py", line 116, in wrapper
return checktype_(func(obj), obj.type_)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 570, in amml_algorithm_value
return amml.Algorithm(self.name, params, self.many_to_one)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/amml.py", line 424, in __init__
super().__init__(name, parameters)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/amml.py", line 334, in __init__
check_params_units(self.name, self.parameters)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/ase_params.py", line 1511, in check_params_units
get_params_magnitudes(dict(row), name)
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/ase_params.py", line 1475, in get_params_magnitudes
magnitudes[par] = val.to(units[par]).magnitude
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/quantity.py", line 536, in to
magnitude = self._convert_magnitude_not_inplace(other, *contexts, **ctx_kwargs)
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/quantity.py", line 480, in _convert_magnitude_not_inplace
return self._REGISTRY.convert(self._magnitude, self._units, other)
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/registry.py", line 1050, in convert
return self._convert(value, src, dst, inplace)
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/context/registry.py", line 405, in _convert
return super()._convert(value, src, dst, inplace)
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/nonmultiplicative/registry.py", line 251, in _convert
dst_offset_unit = self._validate_and_extract(dst)
File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/nonmultiplicative/registry.py", line 166, in _validate_and_extract
(u, e) for u, e in units.items() if not self._is_multiplicative(u)
AttributeError: 'NoneType' object has no attribute 'items'
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/mnt/data/ubuntu/work/python-3.10.12/bin/texts", line 8, in <module>
sys.exit(texts())
File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 338, in wrapper
raise RuntimeError('non-handled exception') from err
RuntimeError: non-handled exception
Edited by Ivan Kondov