Commit 881cc71a authored by Steve Plimpton's avatar Steve Plimpton
Browse files

Merge branch 'master' into hyper

parents ac20d1ab 76b9c004

doc/src/fix_bond_react.txt

+4 −0
Original line number Diff line number Diff line
@@ -385,6 +385,10 @@ No parameter of this fix can be used with the {start/stop} keywords of 
the "run"_run.html command.  This fix is not invoked during "energy

minimization"_minimize.html.



When fix bond/react is 'unfixed,' all internally-created groups are

deleted. Therefore, fix bond/react can only be unfixed after unfixing

all other fixes that use any group created by fix bond/react.



[Restrictions:]



This fix is part of the USER-MISC package.  It is only enabled if

src/MOLECULE/dihedral_helix.cpp

+4 −1
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@@ -39,7 +39,10 @@ using namespace MathConst; 


/* ---------------------------------------------------------------------- */



DihedralHelix::DihedralHelix(LAMMPS *lmp) : Dihedral(lmp) {}

DihedralHelix::DihedralHelix(LAMMPS *lmp) : Dihedral(lmp)

{

  writedata = 1;

}



/* ---------------------------------------------------------------------- */

src/MOLECULE/dihedral_multi_harmonic.cpp

+4 −1
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@@ -34,7 +34,10 @@ using namespace LAMMPS_NS; 


/* ---------------------------------------------------------------------- */



DihedralMultiHarmonic::DihedralMultiHarmonic(LAMMPS *lmp) : Dihedral(lmp) {}

DihedralMultiHarmonic::DihedralMultiHarmonic(LAMMPS *lmp) : Dihedral(lmp)

{

  writedata = 1;

}



/* ---------------------------------------------------------------------- */

src/USER-MISC/dihedral_cosine_shift_exp.cpp

+4 −1
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@@ -36,7 +36,10 @@ using namespace LAMMPS_NS; 


/* ---------------------------------------------------------------------- */



DihedralCosineShiftExp::DihedralCosineShiftExp(LAMMPS *lmp) : Dihedral(lmp) {}

DihedralCosineShiftExp::DihedralCosineShiftExp(LAMMPS *lmp) : Dihedral(lmp)

{

  writedata = 1;

}



/* ---------------------------------------------------------------------- */

src/USER-MISC/dihedral_nharmonic.cpp

+2 −1
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@@ -35,7 +35,8 @@ using namespace LAMMPS_NS; 


/* ---------------------------------------------------------------------- */



DihedralNHarmonic::DihedralNHarmonic(LAMMPS *lmp) : Dihedral(lmp) {

DihedralNHarmonic::DihedralNHarmonic(LAMMPS *lmp) : Dihedral(lmp)

{

  writedata = 1;

}

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