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General Questions and Answers / I need Blom's help
« on: November 25, 2011, 09:00 »
Dear Anders Blom:
Yesterday i found an error in my calculation which was "TypeError: OptimizeGeometry() got an unexpected keyword argument 'max_forces'". As what you said, i made the script with VNL 11.8 and ran it with a old version( ATK 2008.10). I changed the "max_forces" to "maximum_forces" but a new error appeared "TypeError: OptimizeGeometry() got an unexpected keyword argument 'max_steps", then i changed the "'max_steps" and "max_step_length" in the input file into "'maximum_steps" and "maximum_step_length",respectively, but the error was almost the same with last time:"TypeError: OptimizeGeometry() got an unexpected keyword argument 'maximum_steps"
What can i do about it, i appreciate your help.
Yesterday i found an error in my calculation which was "TypeError: OptimizeGeometry() got an unexpected keyword argument 'max_forces'". As what you said, i made the script with VNL 11.8 and ran it with a old version( ATK 2008.10). I changed the "max_forces" to "maximum_forces" but a new error appeared "TypeError: OptimizeGeometry() got an unexpected keyword argument 'max_steps", then i changed the "'max_steps" and "max_step_length" in the input file into "'maximum_steps" and "maximum_step_length",respectively, but the error was almost the same with last time:"TypeError: OptimizeGeometry() got an unexpected keyword argument 'maximum_steps"
What can i do about it, i appreciate your help.