Unverified Commit a626efbc authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1370 from akohlmey/write-data-for-dihedrals-fixes 

Enable write_data for more dihedral styles and related corrections
parents 2558509b 487671c4

src/MOLECULE/dihedral_helix.cpp

+4 −1
Original line number Diff line number Diff line
@@ -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
Original line number Diff line number Diff line
@@ -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
Original line number Diff line number Diff line
@@ -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
Original line number Diff line number Diff line
@@ -35,7 +35,8 @@ using namespace LAMMPS_NS; 


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



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

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

{

  writedata = 1;

}

src/USER-MISC/dihedral_quadratic.cpp

+4 −1
Original line number Diff line number Diff line
@@ -38,7 +38,10 @@ using namespace MathConst; 


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



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

DihedralQuadratic::DihedralQuadratic(LAMMPS *lmp) : Dihedral(lmp)

{

  writedata = 1;

}



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

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