From 1d5b4a91c7b08f0b80c3b12c88495c075ed10321 Mon Sep 17 00:00:00 2001 From: Rosa Bulo Date: Wed, 6 May 2026 18:06:23 +0200 Subject: [PATCH] Rosa Bulo (REB) SCMSUITE-- SO107 (Zoho-AB1-I10): input_to_settings now works for conformers - conformers, like acerxn uses the 'ams' key in the input settings, which is why input_to_settings failed before. --- src/scm/plams/interfaces/adfsuite/inputparser.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/scm/plams/interfaces/adfsuite/inputparser.py b/src/scm/plams/interfaces/adfsuite/inputparser.py index 00258ba2..b667e24e 100644 --- a/src/scm/plams/interfaces/adfsuite/inputparser.py +++ b/src/scm/plams/interfaces/adfsuite/inputparser.py @@ -221,7 +221,7 @@ def _separate_engine_settings(lines: List[str], depth: int = 0) -> Tuple[Setting return input_settings, lines input_parser = parser or InputParserFacade() - if program in ["ams", "acerxn"]: + if program in ["ams", "acerxn", "conformers"]: # Settings for the program are special: # * Root level input needs to go under settings.input.ams. # * Engine block needs to go to settings.input.%engine% where