Update sapelo_programs.py - #49
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Update software versions and fix an issue with the ORCA format string where `{}` is treated like it needs an argument.
AlexHeide
previously requested changes
Dec 19, 2025
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The changes generally look good to me. Could we change the the "molpro" option in progdict to be "molpro_21" so it's a bit more clear which version the more antiquated version is in comparison to "molpro_24?" |
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Update software versions and fix an issue with the ORCA format string where
{}is treated like it needs an argument.