This commit is contained in:
Axel Kohlmeyer
2021-07-19 12:15:43 -04:00
parent 008da35533
commit a1082f4de9

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@ -129,10 +129,10 @@ entries per line are required.
The fix qeq styles will print a warning if the charges are not
equilibrated within *tolerance* by *maxiter* steps, unless the
*warn* keyword is used with "no" as argument. This latter option
*warn* keyword is used with "no" as argument. This latter option
may be useful for testing and benchmarking purposes, as it allows
to use a fixed number of QEq iterations when *tolerance* is set
to a small enough value to alway reach the *maxiter* limit. Turning
to a small enough value to always reach the *maxiter* limit. Turning
off warnings will avoid the excessive output in that case.
The *qeq/point* style describes partial charges on atoms as point