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shiling1813

гæ (СÓÐÃûÆø)

[ÇóÖú] change_box all triclinic¡±ÈçºÎͬʱºÍ¡°dump¡±ÃüÁîÁªºÏ? ÒÑÓÐ1È˲ÎÓë

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kexing46

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shiling1813: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2017-06-22 21:41:14
change_boxÊǸıäsimulation boxµÄÊôÐÔ£¬²¢²»»á¸Ä±äÔ­×ÓµÄλÖã¬triclinic¿ÉÒÔÓÃÀ´Ä£Äâ¼ôÇС£ÒªÊä³ö×ø±êÎļþµÄ»°Ò»°ãÊÇdumpºÍrunÒ»ÆðÓá£
2Â¥2017-06-22 01:26:03
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shiling1813

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by kexing46 at 2017-06-22 01:26:03
change_boxÊǸıäsimulation boxµÄÊôÐÔ£¬²¢²»»á¸Ä±äÔ­×ÓµÄλÖã¬triclinic¿ÉÒÔÓÃÀ´Ä£Äâ¼ôÇС£ÒªÊä³ö×ø±êÎļþµÄ»°Ò»°ãÊÇdumpºÍrunÒ»ÆðÓá£

µ«ÎÒÔËÐÐlammpsʱ£¬ÌáʾdumpÃüÁîÖ»ÄÜÔÚÕý½»boxÖÐʹÓ𡣬ÔÚÈýбboxÖв»ÈÃÔËÐС£ÄѵÀµÃʹÓÃfix printÃüÁî´úÌædumpÃüÁîÀ´±£´æÎļþ£¿
3Â¥2017-06-22 20:56:47
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kexing46

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by shiling1813 at 2017-06-22 20:56:47
µ«ÎÒÔËÐÐlammpsʱ£¬ÌáʾdumpÃüÁîÖ»ÄÜÔÚÕý½»boxÖÐʹÓ𡣬ÔÚÈýбboxÖв»ÈÃÔËÐС£ÄѵÀµÃʹÓÃfix printÃüÁî´úÌædumpÃüÁîÀ´±£´æÎļþ£¿...

²»ÖªµÀÄã¾ßÌåµÄ½Å±¾ÒÔ¼°´íÎóÐÅÏ¢ÊÇʲô¡£DumpÊÇ¿ÉÒÔÓÃÔÚtriclinic boxµÄ£¬Ö»ÊÇheaderÐÅÏ¢»á¸úorthogonal box²»Ò»Ñù¡£ÓÐÒ»ÖÖ´íÎóµÄ¿ÉÄÜÊÇÕâÑùµÄ£º
Cannot change box ortho/triclinic with dumps defined
This is because some dumps store the shape of the box. You need to use undump to discard the dump, change the box, then redefine a new dump.
http://lammps.sandia.gov/doc/Section_errors.html
4Â¥2017-06-22 21:24:28
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shiling1813

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by kexing46 at 2017-06-22 21:24:28
²»ÖªµÀÄã¾ßÌåµÄ½Å±¾ÒÔ¼°´íÎóÐÅÏ¢ÊÇʲô¡£DumpÊÇ¿ÉÒÔÓÃÔÚtriclinic boxµÄ£¬Ö»ÊÇheaderÐÅÏ¢»á¸úorthogonal box²»Ò»Ñù¡£ÓÐÒ»ÖÖ´íÎóµÄ¿ÉÄÜÊÇÕâÑùµÄ£º
Cannot change box ortho/triclinic with dumps defined
This is ...

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      change_box all  triclinic
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5Â¥2017-06-22 21:39:19
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shiling1813

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by shiling1813 at 2017-06-22 21:39:19
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      Îҵı¨´íÐÅÏ¢ÊÇÕâÑùµÄ£º
      change_box all  triclinic
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6Â¥2017-06-22 21:49:09
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kexing46

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by shiling1813 at 2017-06-22 21:39:19
Ê×ÏÈллÄãµÄ½â´ð£¡
      Îҵı¨´íÐÅÏ¢ÊÇÕâÑùµÄ£º
      change_box all  triclinic
      ERROR: Cannot change box ortho/triclinic with dumps defined (../change_box.cpp:301)
ÆäʵÎÒÏëÄ£Äâ¼ôÇÐÇé¿ö£¬Õý ...

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7Â¥2017-06-22 21:57:29
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shiling1813

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
7Â¥: Originally posted by kexing46 at 2017-06-22 21:57:29
Èç¹ûÄãÔÚ¼ôÇÐǰÐèÒªdumpµÄ»°£¬ÔÚchange_box֮ǰÐèÒª°ÑÇ°ÃæµÄdump¸øundump£¬È»ºó¼Óchange_boxÐУ¬È»ºó¶¨ÒåÒ»ÐÐеÄdumpÓÃÔÚ¼ôÇÐÄ£Äâ¹ý³ÌÖС£...

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8Â¥2017-06-22 22:02:19
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kexing46

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
8Â¥: Originally posted by shiling1813 at 2017-06-22 22:02:19
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