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update docs with recent paper

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Jacob Gissinger
2024-08-25 14:54:51 -04:00
parent e94d32e7d3
commit a1a72f741a
2 changed files with 13 additions and 1 deletions
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doc/src/fix_bond_react.rst
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@ -785,3 +785,7 @@ reset_mol_ids = yes, custom_charges = no, molecule = off, modify_create = *fit a
.. _Gissinger2020:
**(Gissinger2020)** Gissinger, Jensen and Wise, Macromolecules, 53, 22, 9953-9961 (2020).
.. _Gissinger2024:
**(Gissinger2024)** Gissinger, Jensen and Wise, Computer Physics Communications, 304, 109287 (2024).

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src/REACTION/fix_bond_react.cpp
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@ -58,7 +58,7 @@ using namespace MathConst;
static const char cite_fix_bond_react[] =
"fix bond/react: reacter.org doi:10.1016/j.polymer.2017.09.038, "
"doi:10.1021/acs.macromol.0c02012\n\n"
"doi:10.1021/acs.macromol.0c02012, doi:10.1016/j.cpc.2024.109287\n\n"
"@Article{Gissinger17,\n"
" author = {J. R. Gissinger and B. D. Jensen and K. E. Wise},\n"
" title = {Modeling Chemical Reactions in Classical Molecular Dynamics Simulations},\n"
@ -75,6 +75,14 @@ static const char cite_fix_bond_react[] =
" volume = 53,\n"
" number = 22,\n"
" pages = {9953--9961}\n"
"}\n\n"
"@Article{Gissinger24,\n"
" author = {J. R. Gissinger, B. D. Jensen, K. E. Wise},\n"
" title = {Molecular Modeling of Reactive Systems with REACTER},\n"
" journal = {Computer Physics Communications},\n"
" year = 2024,\n"
" volume = 304,\n"
" number = 109287\n"
"}\n\n";
static constexpr double BIG = 1.0e20;