Commit2 JT 070918

- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN

doc/src/fix_langevin_spin.txt

@@ -98,5 +98,5 @@ integration fix (e.g. {fix nve/spin}).
 [(Mayergoyz)] I.D. Mayergoyz, G. Bertotti, C. Serpico (2009). Elsevier (2009)
 
 :link(Tranchida2)
-[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson, 
-arXiv preprint arXiv:1801.10233, (2018).
+[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
+Journal of Computational Physics, (2018).

doc/src/fix_nve_spin.txt

@@ -73,4 +73,4 @@ instead of "array" is also valid.
 
 :link(Tranchida1)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, (2018).

doc/src/pair_spin_dmi.txt

@@ -63,4 +63,4 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
 
 :link(Tranchida5)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, (2018).

doc/src/pair_spin_exchange.txt

@@ -79,4 +79,4 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
 
 :link(Tranchida3)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, (2018).

doc/src/pair_spin_magelec.txt

@@ -70,4 +70,4 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
 
 :link(Tranchida4)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson, 
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, (2018).

doc/src/pair_spin_neel.txt

@@ -78,4 +78,4 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
 
 :link(Tranchida6)
 [(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson,
-arXiv preprint arXiv:1801.10233, (2018).
+Journal of Computational Physics, (2018).

src/SPIN/atom_vec_spin.cpp

@@ -18,9 +18,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>

src/SPIN/compute_spin.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>

src/SPIN/fix_langevin_spin.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <mpi.h>

src/SPIN/fix_nve_spin.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>
@@ -59,8 +59,9 @@ static const char cite_fix_nve_spin[] =
   "title={Massively parallel symplectic algorithm for coupled magnetic spin "
   "dynamics and molecular dynamics},\n"
   "author={Tranchida, J and Plimpton, SJ and Thibaudeau, P and Thompson, AP},\n"
-  "journal={arXiv preprint arXiv:1801.10233},\n"
-  "year={2018}\n"
+  "journal={Journal of Computational Physics},\n"
+  "year={2018},\n"
+  "publisher={Elsevier}\n"
   "}\n\n";
 
 enum{NONE};

src/SPIN/fix_precession_spin.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>

src/SPIN/pair_spin.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>

src/SPIN/pair_spin_dmi.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>

src/SPIN/pair_spin_exchange.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>

src/SPIN/pair_spin_magelec.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>
@@ -436,9 +436,9 @@ void PairSpinMagelec::compute_magelec_mech(int i, int j, double fi[3], double sp
   meiy *= ME_mech[itype][jtype];
   meiz *= ME_mech[itype][jtype];
 
-  fi[0] = meiy*vz - meiz*vy;
-  fi[1] = meiz*vx - meix*vz;
-  fi[2] = meix*vy - meiy*vx;
+  fi[0] += meiy*vz - meiz*vy;
+  fi[1] += meiz*vx - meix*vz;
+  fi[2] += meix*vy - meiy*vx;
 
 }
 

src/SPIN/pair_spin_neel.cpp

@@ -16,9 +16,9 @@
                          Aidan Thompson (SNL)
 
    Please cite the related publication:
-   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018).
-   Massively parallel symplectic algorithm for coupled magnetic spin dynamics
-   and molecular dynamics. arXiv preprint arXiv:1801.10233.
+   Tranchida, J., Plimpton, S. J., Thibaudeau, P., & Thompson, A. P. (2018). 
+   Massively parallel symplectic algorithm for coupled magnetic spin dynamics 
+   and molecular dynamics. Journal of Computational Physics.
 ------------------------------------------------------------------------- */
 
 #include <math.h>