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Unexpected reordering of resid with split flag #350

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fgrunewald opened this issue Oct 26, 2023 · 0 comments
Open

Unexpected reordering of resid with split flag #350

fgrunewald opened this issue Oct 26, 2023 · 0 comments
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bug Something isn't working

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@fgrunewald
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Describe the bug
Using the -split flag causes a renumbering of all resid. However, the resid start at 0 instead of 1.

Command line arguments
Concerns all commands with

polyply gen_coords -split

Expected behavior
The new and or old resids should start at 1
@fgrunewald fgrunewald added the bug Something isn't working label Oct 26, 2023
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@fgrunewald