Révision 9fd1daa6 tests/good.inp

b/tests/good.inp
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molec_file = acetic.xyz    # run_type-dependent
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cluster_magns = energy MOI
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num_conformers = 100
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num_prom_cand = 5
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iso_rmsd = 0.1
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min_confs = False
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[Screening]


  		





  ......




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try_disso = True


  		





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sample_points_per_angle = 4


  		





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collision_threshold = 0.9


  		





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screen_rmsd = 0.1


  		





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collision_bottom_z = 5.2


  		





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[Refinement]


  		












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