ACErxn also offers a few functions that allow interaction with the ACErxn
Get the default input settings for an ACErxn computation
Settingsobject with ACErxn settings to AMS input string
Settingsobject containing the settings for an ACErxn job. Only the settings present in the object will be written.
minimal:: If set to True, ony non-default settings in the settings object will be written to file.
AMSJobbehind the scenes
Convert AMS input text to settings for ACE (text can contain maximum 2 engine blocks)
text– String containing ACErxn keywords in AMS block format. Can also contain system blocks, and up to two engine blocks.