cyllab/ccinput: v1.5.1

Commits 669f0f3: Updated the documentation (Raphaël Robidas) bcdd713: Minor improvements to basis set data (Raphaël Robidas) 2c38703: Added option to parse charge and multiplicity from file names (Raphaël Robidas) 8049ecb: Added explicit memory specification in ORCA input files (Raphaël Robidas) f2d...

Full description

Bibliographic Details
Main Authors: Raphaël Robidas, Lint Action
Format: Software
Language:unknown
Published: 2022
Subjects:
Orca
Online Access:https://zenodo.org/record/7032210
https://doi.org/10.5281/zenodo.7032210
Description
Summary:Commits 669f0f3: Updated the documentation (Raphaël Robidas) bcdd713: Minor improvements to basis set data (Raphaël Robidas) 2c38703: Added option to parse charge and multiplicity from file names (Raphaël Robidas) 8049ecb: Added explicit memory specification in ORCA input files (Raphaël Robidas) f2d1669: Corrected name handling (Raphaël Robidas)

Similar Items