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This commit is contained in:
Axel Kohlmeyer
2022-07-07 10:35:34 -04:00
parent b7457fe834
commit 4aa0132860
5 changed files with 18 additions and 26 deletions
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6
src/MISC/pair_srp_react.cpp
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@ -13,13 +13,13 @@
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Vaibhav Palkar (Kuksenok Lab, Clemson University)
Contributing author: Vaibhav Palkar (Kuksenok Lab, Clemson University)
based on the pair srp code by Timothy Sirk (ARL)
This pair style interfaces the pair style srp with the stochastic reaction
fixes bond/break and bond/create by updating pseudo beads corresponding to
bonds as bond breaking and formation takes place. This is useful in
simulation of reactions in polymers with soft potentials such as DPD.
simulation of reactions in polymers with soft potentials such as DPD.
See the doc page for pair_style srp/react command for usage instructions.
@ -213,7 +213,7 @@ void PairSRPREACT::init_style()
f_srp->modify_params(2, arg0);
delete [] idbreak;
}
// if using fix bond/create, set id of fix bond/create in fix srp
// idcreate = id of fix bond break
if( bond_create )