ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Commit JT 112219

Browse Source 
- improved figure in precession/spin documentation
- corrected other pair/spin interactions
This commit is contained in:
julient31
2019-11-22 12:07:05 -07:00
parent 5c7a81128d
commit 89bb2ef83f
6 changed files with 20 additions and 20 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
src/SPIN/pair_spin_dmi.cpp
View File

@ -319,7 +319,6 @@ void PairSpinDmi::compute_single_pair(int ii, double fmi[3])
// if interaction applies to type ii,
// locflag = 1 and compute pair interaction
//i = ilist[ii];
if (locflag == 1) {
xi[0] = x[ii][0];
@ -373,9 +372,9 @@ void PairSpinDmi::compute_dmi(int i, int j, double eij[3], double fmi[3], double
dmiy = eij[2]*v_dmx[itype][jtype] - eij[0]*v_dmz[itype][jtype];
dmiz = eij[0]*v_dmy[itype][jtype] - eij[1]*v_dmx[itype][jtype];
fmi[0] -= 2.0*(dmiy*spj[2] - dmiz*spj[1]);
fmi[1] -= 2.0*(dmiz*spj[0] - dmix*spj[2]);
fmi[2] -= 2.0*(dmix*spj[1] - dmiy*spj[0]);
fmi[0] -= (dmiy*spj[2] - dmiz*spj[1]);
fmi[1] -= (dmiz*spj[0] - dmix*spj[2]);
fmi[2] -= (dmix*spj[1] - dmiy*spj[0]);
}
/* ----------------------------------------------------------------------