Commit2 JT 112219

- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
This commit is contained in:
julient31
2019-11-22 16:29:37 -07:00
parent 89bb2ef83f
commit 8bca0b13f1
46 changed files with 737 additions and 759 deletions

View File

@ -65,8 +65,6 @@ for t in range (0,N):
# calc. average magnetization
Sm = (S1+S2)*0.5
# calc. energy
# en = -hbar*(np.dot(S1,wf1)+np.dot(S2,wf2))
en = -2.0*J0*(np.dot(S1,S2))
en = -J0*(np.dot(S1,S2))
# print res. in ps for comparison with LAMMPS
print(t*dt/1000.0,Sm[0],Sm[1],Sm[2],en)
# print(t*dt/1000.0,S1[0],S2[0],S1[1],S2[1],S1[2],S2[2],en)