clarify docs #353
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clarify docs #353
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orbeckst
requested changes
Apr 1, 2024
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Minor markup, otherwise clear to me.
@davidlmobley please also have a look as you requested the doc update.
docs/estimators-fep.rst
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| The free energy differences (in units of :math:`k_B T`) between each :math:`\lambda` window can be accessed via the ``delta_f_`` attribute:: | ||
| The free energy differences (in units of :math:`k_B T`) between each :math:`\lambda` window can be accessed via the ``delta_f_`` attribute. | ||
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| The elements of the resulting matrix `delta_f_` represent the free energy differences between different lambda windows. Specifically, `delta_f_[i, j]` represents the free energy difference between lambda window `j` and lambda window `i`. This matrix can be utilized to obtain the desired free energy differences for various states. |
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Use double-backticks in reST
... matrix ``delta_f_`` represent ...to indicate mono-spaced.
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #353 +/- ##
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Coverage 98.82% 98.82%
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Files 28 28
Lines 1875 1875
Branches 405 405
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Hits 1853 1853
Misses 2 2
Partials 20 20 ☔ View full report in Codecov by Sentry. |
orbeckst
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May 15, 2024
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Fix #347. The CI shall run after #351 is merged.