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heibeidedongľ³æ (ÕýʽдÊÖ)
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[ÇóÖú]
¹ØÓÚ fix move command
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IMPORTANT NOTE:As atoms move due to this fix, they will pass thru periodic boundaries and be remapped to the other side of the simulation box, just as they would during normal time integration (e.g. via the fix nve command). It is up to you to decide whether periodic boundaries are appropriate with the kind of atom motion you are prescribing with this fix. IMPORTANT NOTE: As dicsussed below, atoms are moved relative to their initial position at the time the fix is specified. These initial coordinates are stored by the fix in "unwrapped" form, by using the image flags associated with each atom. See the dump custom command for a discussion of "unwrapped" coordinates. See the Atoms section of the read_data command for a discussion of image flags and how they are set for each atom. You can reset the image flags (e.g. to 0) before invoking this fix by using the set image command. ÕâÁ½¶ÎÊÇfix move command ÖУ¬×Ô¼º¿´¼¸±é¶¼Ã»Àí½â£¬Çó½âÊÍ¡£ |
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ddll_slsl
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2Â¥2013-05-13 09:47:37
heibeidedong
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- רҵ: Ì¼ËØ²ÄÁÏÓ볬Ӳ²ÄÁÏ

3Â¥2013-05-13 10:13:59
ddll_slsl
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 101 (¸ßÖÐÉú)
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heibeidedong: ½ð±Ò+7, ¡ï¡ï¡ïºÜÓаïÖú 2013-05-13 15:21:13
heibeidedong: ½ð±Ò+7, ¡ï¡ï¡ïºÜÓаïÖú 2013-05-13 15:21:13
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ÊÖ²áµÄ¡±dump molfile¡°ÀïÓÐÈçÏÂ˵Ã÷£º Unwrapped means that if the atom has passed through a periodic boundary one or more times, the value is printed for what the coordinate would be if it had not been wrapped back into the periodic box. 'image flag¡°, ¸ù¾Ýread_dumpÀïµÄ½âÊÍ£¬ Ó¦¸ÃÊÇÔ×Ó¿çÔ½±ß½çµÄ¸öÊý¡£ Ò²¾ÍÊÇ˵£¬ Ô×ÓÒ»µ©¿çÔ½±ß½ç£¬¸ÃÖµ¾Í»á+/£1. |
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4Â¥2013-05-13 13:40:49
heibeidedong
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- ÐÔ±ð: GG
- רҵ: Ì¼ËØ²ÄÁÏÓ볬Ӳ²ÄÁÏ

5Â¥2013-05-13 15:19:45
Candyran
Ìú³æ (СÓÐÃûÆø)
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- ×¢²á: 2019-01-15
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