forked from lijiext/lammps
24 lines
1.0 KiB
Plaintext
24 lines
1.0 KiB
Plaintext
These examples are similar to those in the "min" and "neb" folders.
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Each example can be run with the following minimization style:
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- quickmin: qm
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- fire: fire
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- fire with optimized options: fire_mod
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- fire with min_modify options to
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reproduce fire/old: fire_mod_old
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- fire/old (previous implementation): fire_old
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Run the NEB examples as:
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mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.qm
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mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire
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mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_mod
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mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_mod_old
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mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.sivac.fire_old
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mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.qm
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mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire
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mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_mod
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mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_mod_old
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mpirun -np 8 lmp_g++ -partition 8x1 -in in.neb.sivac.fire_old
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