Unverified Commit 02ff2068 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

cosmetic changes

parent 78cfd3ff

src/MOLECULE/dihedral_charmm.cpp

+1 −1
Original line number Diff line number Diff line
@@ -310,7 +310,7 @@ void DihedralCharmm::allocate() 
  int n = atom->ndihedraltypes;



  memory->create(k,n+1,"dihedral:k");

  memory->create(multiplicity,n+1,"dihedral:k");

  memory->create(multiplicity,n+1,"dihedral:multiplicity");

  memory->create(shift,n+1,"dihedral:shift");

  memory->create(cos_shift,n+1,"dihedral:cos_shift");

  memory->create(sin_shift,n+1,"dihedral:sin_shift");

src/MOLECULE/dihedral_charmmfsw.cpp

+1 −1
Original line number Diff line number Diff line
@@ -328,7 +328,7 @@ void DihedralCharmmfsw::allocate() 
  int n = atom->ndihedraltypes;



  memory->create(k,n+1,"dihedral:k");

  memory->create(multiplicity,n+1,"dihedral:k");

  memory->create(multiplicity,n+1,"dihedral:multiplicity");

  memory->create(shift,n+1,"dihedral:shift");

  memory->create(cos_shift,n+1,"dihedral:cos_shift");

  memory->create(sin_shift,n+1,"dihedral:sin_shift");

src/USER-MISC/angle_cosine_shift.cpp

+5 −5
Original line number Diff line number Diff line
@@ -156,11 +156,11 @@ void AngleCosineShift::allocate() 
  allocated = 1;

  int n = atom->nangletypes;



  memory->create(k      ,n+1,"Angle:k");

  memory->create(ksint  ,n+1,"Angle:ksint");

  memory->create(kcost  ,n+1,"Angle:kcost");

  memory->create(theta  ,n+1,"Angle:theta");

  memory->create(setflag,n+1, "Angle:setflag");

  memory->create(k,n+1,"angle:k");

  memory->create(ksint,n+1,"angle:ksint");

  memory->create(kcost,n+1,"angle:kcost");

  memory->create(theta,n+1,"angle:theta");

  memory->create(setflag,n+1,"angle:setflag");



  for (int i = 1; i <= n; i++) setflag[i] = 0;

}

src/USER-MISC/bond_harmonic_shift.cpp

+3 −3

File changed.

Contains only whitespace changes.

CRA Git | Maintained and supported by SUSTech CRA and CCSE