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:
@ -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)
|
||||
|
||||
Reference in New Issue
Block a user