[BUG FIX] - hermes fit crash - fit_sortBasisSet - Kathleen Hupfeld#445
Merged
HJZollner merged 1 commit intoschorschinho:developfrom Jun 22, 2022
Merged
[BUG FIX] - hermes fit crash - fit_sortBasisSet - Kathleen Hupfeld#445HJZollner merged 1 commit intoschorschinho:developfrom
HJZollner merged 1 commit intoschorschinho:developfrom
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Bug fix for crash during HERMES fit. This was related to a list sorting issue with the introduction of cystathionine in the newer basis sets and the all_mets list.
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Bug fix for crash during HERMES fit. This was related to a list sorting issue with the introduction of cystathionine in the newer basis sets and the all_mets list.