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start use_masses functionality in to_string #295

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loriab wants to merge 1 commit into MolSSI:master from loriab:usemasses

Collaborator

loriab commented Jun 23, 2022 •

edited

Description

Add a Molecule.to_string(..., use=masses=True) toggle to transmit masses info. Only for NWChem. Not used anywhere; I worked it out for debugging.

Status

Code base linted
Ready to go


          start use_masses functionality in to_string

37ddc98

codecov bot commented Jun 23, 2022 •

edited

Codecov Report

Merging #295 (37ddc98) into master (2956421) will increase coverage by 0.00%.
The diff coverage is 100.00%.

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