Commit 35be1724 authored by julient31's avatar julient31
Browse files

Commit JT 052819 

- corrected examples in examples/SPIN/dipole_spin
- modified warning message in src/SPIN/pair_spin_dipole_*.cpp
parent ed7c09ac

examples/SPIN/dipole_spin/in.spin.iron_dipole_cut

+1 −1
Original line number Diff line number Diff line
@@ -54,6 +54,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe 
thermo          50



compute 	outsp all property/atom spx spy spz sp fmx fmy fmz

dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]

dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]



run 		2000

examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald

+1 −1
Original line number Diff line number Diff line
@@ -56,6 +56,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe 
thermo          50



compute 	outsp all property/atom spx spy spz sp fmx fmy fmz

dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]

dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]



run 		2000

examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm

+1 −4
Original line number Diff line number Diff line
@@ -57,9 +57,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe 
thermo          50



compute 	outsp all property/atom spx spy spz sp fmx fmy fmz

dump 		100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]

dump 		1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]



run 		2000
 
# min_style 	spin

# min_modify	alpha_damp 1.0 discrete_factor 10

# minimize 	1.0e-16 1.0e-16 10000 10000

src/SPIN/pair_spin_dipole_cut.cpp

+4 −3
Original line number Diff line number Diff line
@@ -152,15 +152,16 @@ void PairSpinDipoleCut::init_style() 
  neighbor->requests[irequest]->half = 0;

  neighbor->requests[irequest]->full = 1;

  

  // checking if nve/spin is a listed fix

  // checking if nve/spin or neb/spin are a listed fix



  int ifix = 0;

  while (ifix < modify->nfix) {

    if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;

    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;

    ifix++;

  }

  if (ifix == modify->nfix)

    error->all(FLERR,"pair/spin style requires nve/spin");

  if ((ifix == modify->nfix) && (comm->me == 0))

    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");



  // get the lattice_flag from nve/spin

src/SPIN/pair_spin_dipole_long.cpp

+4 −3
Original line number Diff line number Diff line
@@ -154,15 +154,16 @@ void PairSpinDipoleLong::init_style() 
  neighbor->requests[irequest]->half = 0;

  neighbor->requests[irequest]->full = 1;

  

  // checking if nve/spin is a listed fix

  // checking if nve/spin or neb/spin are a listed fix



  int ifix = 0;

  while (ifix < modify->nfix) {

    if (strcmp(modify->fix[ifix]->style,"nve/spin") == 0) break;

    if (strcmp(modify->fix[ifix]->style,"neb/spin") == 0) break;

    ifix++;

  }

  if (ifix == modify->nfix)

    error->all(FLERR,"pair/spin style requires nve/spin");

  if ((ifix == modify->nfix) && (comm->me == 0))

    error->warning(FLERR,"Using pair/spin style without nve/spin or neb/spin");



  // get the lattice_flag from nve/spin

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