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print warning about minimization energy with fix box/relax

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Axel Kohlmeyer
2017-05-03 15:33:22 -04:00
parent 8f9cb3590a
commit 7f49ee8fd7
3 changed files with 20 additions and 1 deletions
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6
doc/src/Section_errors.txt
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@ -11171,6 +11171,12 @@ Self-explanatory. :dd
If the fix changes the timestep, the dump dcd file will not
reflect the change. :dd
{Energy due to X extra global DOFs will be included in minimizer energies} :dt
When using fixes like box/relax, the potential energy used by the minimizer
is augmented by an additional energy provided by the fix. Thus the printed
converged energy may be different from the total potential energy. :dd
{Energy tally does not account for 'zero yes'} :dt
The energy removed by using the 'zero yes' flag is not accounted