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Axel Kohlmeyer
2024-06-18 20:46:32 -04:00
parent 740b206e7f
commit d54f38ff62
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doc/src/fix_sgcmc.rst
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@ -105,7 +105,7 @@ the effective average constraint in the parallel VC-SGC MC algorithm
(see Eqs. (20-21) in :ref:`Sadigh1 <Sadigh1>`).
The parameter *conc* sets the `N-1` target atomic concentration
fractions (parameter :math:`c_0` in Eqs. (20-21) of :ref:`Sadigh1 <Sadigh1>`)
:math:`0 \le c_2, \ldots, c_N \le 1`, with
:math:`0 \le c_2, \ldots, c_N \le 1`, with
:math:`c_1 = 1 - \Sigma_{i=2}^N c_i`.
When the simulation includes `N` atom types (elements),
`N-1` concentration values must be specified.