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Pr42 to release hystory #44

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Sep 3, 2020
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Pr42 to release hystory #44

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9bd254d
Merge pull request #29 from martimunicoy/devel
martimunicoy Sep 2, 2020
09d9a49
Update releasehistory.rst
martimunicoy Sep 3, 2020
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3 changes: 2 additions & 1 deletion docs/releasehistory.rst
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Expand Up @@ -18,7 +18,8 @@ New features
- `PR #28 <https://github.com/martimunicoy/offpele/pull/28>`_: Adds a new method to define a `Molecule` object through a SMILES tag. This molecule can be written as a PDB file later for PELE.
- `PR #31 <https://github.com/martimunicoy/offpele/pull/31>`_: Adds the possibility to combine nonbonding and solvent parameters from OPLS2005 with bonding parameters from OFF.
- `PR #36 <https://github.com/martimunicoy/offpele/pull/36>`_: Minor changes to improve the quality of the code.
- `PR #37 <https://github.com/martimunicoy/offpele/issues/37>`_: Adds a new partial charge calculator that uses OPLS2005 to assign partial charges. Includes new flags in the CLI from main.py to combine bonding and nonbonding parameters and partial charges from OPLS2005.
- `PR #38 <https://github.com/martimunicoy/offpele/pull/38>`_: Adds a new partial charge calculator that uses OPLS2005 to assign partial charges. Includes new flags in the CLI from main.py to combine bonding and nonbonding parameters and partial charges from OPLS2005.
- `PR #42 <https://github.com/martimunicoy/offpele/pull/42>`_: Improves the documentation, adding a section specific for CLI-usage and API examples.

Bugfixes
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