corrections for REACTANT to reactant

kumaranu · Jul 4, 2024 · db7b910 · db7b910
1 parent 98ececc
commit db7b910
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/ts-workflow-examples/neb_ts_with_hessian/using_newtonnet.py b/src/ts-workflow-examples/neb_ts_with_hessian/using_newtonnet.py
@@ -9,8 +9,8 @@
 config = toml.load('inputs_using_newtonnet.toml')
 
 # Constants from TOML file
-REACTANT_XYZ_FILE = config['paths']['REACTANT']
-PRODUCT_XYZ_FILE = config['paths']['PRODUCT']
+REACTANT_XYZ_FILE = config['paths']['reactant']
+PRODUCT_XYZ_FILE = config['paths']['product']
 MODEL_PATH = config['paths']['model_path']
 SETTINGS_PATH = config['paths']['settings_path']
 LAUNCHPAD_FILE = config['paths']['launchpad_file']