[CP2K-user] [CP2K:16314] How to fix O-H bond

'Dawid das' via cp2k cp2k at googlegroups.com
Sun Nov 28 18:19:18 UTC 2021


This part of input will simply constrain all bond lengths at their initial
value given the bond is between H and any other atom. I think that it is
only important that atom name type starts with H. Otherwise it is not
recognized as a hydrogen.

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