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Spelling fixes in VP selection section

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Mark Dewing 2022-09-01 14:44:02 -05:00
parent f9789a7c62
commit 39584b8f84
1 changed files with 6 additions and 6 deletions
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docs/methods.rst
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@ -545,14 +545,14 @@ The cost function consists of three components: energy, unreweighted variance, a
<cost name="unreweightedvariance"> 0.00 </cost>
<cost name="reweightedvariance"> 0.05 </cost>
Varational parameter selection
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
The predominant way of selecting varational paramemters is via ``<wavefunction>`` input.
Variational parameter selection
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
The predominant way of selecting variational parameters is via ``<wavefunction>`` input.
``<coefficients>`` entries support ``optimize="yes"/"no"`` to enable/disable variational parameters in the wavefunction optimization.
The secondary way of selecting varational paramemters is via ``variational_subset`` parameter in the ``<qmc>`` driver input.
The secondary way of selecting variational parameters is via ``variational_subset`` parameter in the ``<qmc>`` driver input.
It allows controlling optimization granularity at each optimization step.
If ``variational_subset`` is not provided or empty, all the varational paramemters are selected.
If variational paramemters are set as not optimizable in the predominant way, the secondary way won't be able to set them optimizable even they are selected.
If ``variational_subset`` is not provided or empty, all the variational parameters are selected.
If variational parameters are set as not optimizable in the predominant way, the secondary way won't be able to set them optimizable even they are selected.
The following example shows optimizing subsets of parameters in stages in a single QMCPACK run.