diff --git a/doc/src/fix_bond_react.rst b/doc/src/fix_bond_react.rst index 575dbce528..15098761cc 100644 --- a/doc/src/fix_bond_react.rst +++ b/doc/src/fix_bond_react.rst @@ -520,6 +520,8 @@ example, the molecule fragment could consist of only the backbone atoms of a polymer chain. This constraint can be used to enforce a specific relative position and orientation between reacting molecules. +.. versionchanged:: TBD + The constraint of type "custom" has the following syntax: .. parsed-literal:: @@ -635,6 +637,8 @@ eligible reaction only occurs if the random number is less than the fraction. Up to :math:`N` reactions are permitted to occur, as optionally specified by the *max_rxn* keyword. +.. versionadded:: TBD + The *rate_limit* keyword can enforce an upper limit on the overall rate of the reaction. The number of reaction occurences is limited to Nlimit within an interval of Nsteps timesteps. No reactions are @@ -660,6 +664,8 @@ charges are updated to those specified by the post-reaction template fragment defined in the pre-reaction molecule template. In this case, only the atomic charges of atoms in the molecule fragment are updated. +.. versionadded:: TBD + The *rescale_charges* keyword can be used to ensure the total charge of the system does not change as reactions occur. When the argument is set to *yes*\ , a fixed value is added to the charges of post-reaction