From 09d9a4966869534bfeff4fd2aac5fab117a48481 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mart=C3=AD=20Municoy?= Date: Thu, 3 Sep 2020 14:19:08 +0200 Subject: [PATCH] Update releasehistory.rst --- docs/releasehistory.rst | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/docs/releasehistory.rst b/docs/releasehistory.rst index 8eb0d25d..6626b9be 100644 --- a/docs/releasehistory.rst +++ b/docs/releasehistory.rst @@ -18,7 +18,8 @@ New features - `PR #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 `_: Adds the possibility to combine nonbonding and solvent parameters from OPLS2005 with bonding parameters from OFF. - `PR #36 `_: Minor changes to improve the quality of the code. -- `PR #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 `_: 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 `_: Improves the documentation, adding a section specific for CLI-usage and API examples. Bugfixes """"""""