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ÎÒÓÃLAMMPS½¨ÁËÒ»¸öSIGMA5¾§½ç£¬ÓÃÁËÏÂÃæµÄÓï¾ä lattice bcc ${latparam} region whole block 0.000000 9.02928935 -9.02928935 9.02928935 0.000000 28.55312 units box create_box 2 whole region upper block INF INF 0.000000 9.02928935 INF INF units box lattice bcc ${latparam} orient x 3 1 0 orient y 1 -3 0 orient z 0 0 -1 create_atoms 1 region upper region lower block INF INF -9.02928935 0.000000 INF INF units box lattice bcc ${latparam} orient x 3 1 0 orient y -1 3 0 orient z 0 0 1 create_atoms 1 region lower group upper region upper group lower region lower delete_atoms overlap ${overlapdist} lower upper »°ËµÎÒ¿´ÁËͼ£¬ºÃÏñÒѾ³É¹¦ÁË¡£ÎÊÌâÎÒ¿´²»¶®¼ÆËã¹ý³ÌÖеÄһЩ½á¹û£¬Çë¸ßÊÖÖ¸µã¡£ ½á¹ûÖÐÏÔʾ create_atoms 1 region upper Created 200 atoms create_atoms 1 region lower Created 200 atoms group upper region upper 210 atoms in group upper group lower region lower 210 atoms in group lower delete_atoms overlap 0.275 lower upper System init for delete_atoms ... Deleted 20 atoms, new total = 380 ÎÒÏëÇëÎÊ£¬ÎÒÃ÷Ã÷ÓÃupperµÄregion×ö³ÉÒ»¸ögroup£¬Õâ¶à³öÀ´µÄ10¸öÔ×ÓÊÇÄÄÀïÀ´µÄ£¿Ð»Ð»! |
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