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Commit JT 040519

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- initial rotation with Rodrigues' formula + exception
- worked on neb_spin documentation
- removed pair/spin warning for neb/spin
This commit is contained in:
julient31
2019-04-05 13:22:46 -06:00
parent e45e92b1cb
commit da16a7e50b
14 changed files with 560 additions and 91 deletions
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3
examples/SPIN/gneb/iron/in.gneb.iron
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@ -7,11 +7,10 @@ atom_style spin
# necessary for the serial algorithm (sametag)
atom_modify map array
read_data initial.iron_spin
# setting mass, mag. moments, and interactions for bcc iron
# (mass not necessary for fixed lattice calculation)
read_data initial.iron_spin
mass 1 55.845
pair_style spin/exchange 3.5

3
examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
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@ -7,11 +7,10 @@ atom_style spin
# necessary for the serial algorithm (sametag)
atom_modify map array
read_data initial.skyrmion
# setting mass, mag. moments, and interactions for bcc iron
# (mass not necessary for fixed lattice calculation)
read_data initial.skyrmion
mass 1 55.845
pair_style hybrid/overlay spin/exchange 3.1 spin/dmi 3.1