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examples/mti/mti.p.json
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+{
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+ "equi_conf": "conf.lmp",
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+ "copies": [
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+ 1,
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+ 1
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+ ],
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+ "model": "graph.pb",
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+ "job_type": "mass_ti",
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+ "model_mass_map": [
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+ 16,
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+ "mass_scale_y": [
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+ 0.1,
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+ 0.2,
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+ 0.3,
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+ 0.4,
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+ 0.6,
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+ 1.0
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+ "nbead": [
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+ 8,
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+ 32,
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+ 64,
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+ 64
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+ "nnode": [
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+ "nsteps": 1000000,
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+ "dt": 0.0005,
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+ "ens": "npt",
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+ "path": "p",
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+ "temp": 300,
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+ "press": [
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+ 1.0,
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+ 2.0,
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+ 3.0,
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+ 4.0
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+ "tau_t": 0.1,
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+ "tau_p": 0.5,
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+ "stat_freq": 10,
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+ "dump_freq": 10000,
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+ "stat_skip": 10000,
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+ "stat_bsize": 2000,
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+ "_comment": "that's all"
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+}
examples/mti.json examples/mti/mti.t.jsonexamples/mti.json renamed to examples/mti/mti.t.json
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