examples:parameters
Example : Parameter file
A rough template for a parameter file can be created with the potfit_setup script.
- dummy.param
ntypes 2 config dummy.config startpot dummy.pot endpot dummy.pot_end tempfile dummy.tmp imdpot dummy.imd plotfile dummy.plot flagfile STOP # general options write_pair 1 # plotmin 0.1 imdpotsteps 1000 output_prefix dummy # Minimization options opt 1 anneal_temp 100 eng_weight 100 stress_weight 10 seed 123
examples/parameters.txt ยท Last modified: 2018/01/10 17:30 by daniel