Automatic detection for electrode etypes

2022-08-19 15:15:50 +02:00
parent 8edcc3381e
commit 0388913241
11 changed files with 1697 additions and 1680 deletions
--- a/doc/src/fix_electrode_conp.rst
+++ b/doc/src/fix_electrode_conp.rst
@ -45,8 +45,8 @@ Syntax
    *couple group-ID value*
        group-ID = group of atoms treated as additional electrode
        value = electric potential or charge on this electrode
-    *etypes values = atom types*
-        specify atom types exclusive to the electrode for optimized neighbor lists
+    *etypes*
+        construct optimized neighbor lists (types of the electrode must be exclusive to them)
    *ffield on/off*
        turn on/off finite-field implementation
    *write_mat filename*