subash and environment file fixes

RagnarB83 / ash

ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.

GNU General Public License v2.0

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subash and environment file fixes #413

Closed RagnarB83 closed 10 months ago

RagnarB83 commented 10 months ago

update to subash
update to environment file created by create_ash_env_file function