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error£º evaluate_sheer_strain: ATOM_COORDINATION_MAX=24 exceed £ºNo such file or directory ÇóÖú£ºÔÚlammpsÉú³ÉµÄcfgÎļþ£¬ÓÃatomeye´ò²»¿ª£¬¶øÏÔʾÕâЩ£¬ÕâÊÇin ÎļþÄÄÀï³ö´íµÄ£¡£¡£¡ ¼±¼±¼±£¡£¡£¡ |
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2Â¥2016-03-28 14:13:05
tinaÕÅ
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3Â¥2016-03-28 16:00:57
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4Â¥2016-03-29 09:09:40
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2. ATOM_COORDINATION_MAX = 24 exceeded or error: Imakespace: min=0 max=2744 jammed between i=1262 and i+1. and AtomEye quits. What's the problem? Answer: The above error message means some atoms in the configuration are getting too close to each other. The number of atoms within the default cutoff radii of first-nearest-neighbors exceeds 24. This usually means there is some pathology in the configuration (maybe you have miscalculated the atomic geometry? maybe your time-integrator has blown up?). To see what is in the configuration, artificially scale up your supercell 10 times by adding one optional line after the 'Number of particles = ' line: A = 10 Angstrom (basic length-scale) Most likely this would reduce all atoms to coordination-0. But at least you can now load your configuration into AtomEye, see the atoms, and debug the configuration. ÔÚÊÖ²áÉÏÕÒµ½Õâ¸ö¡¡¿´¿´ÊDz»ÊÇÕâ¸öÔÒò |

5Â¥2016-03-29 17:08:19













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