²é¿´: 1837  |  »Ø¸´: 5

º«»¶»¶

½ð³æ (³õÈëÎÄ̳)

[ÇóÖú] compute ÃüÁî³ö´í£¬¼±Çó ÒÑÓÐ2È˲ÎÓë

¸÷λ´óÉñÄãÃǺã¬×î½üÔÚÔËÐÐʱ³öÏÖÕâÑùµÄÎÊÌâ
compute         3  all pe/atom
compute         4 all ke/atom
compute         5 all coor/atom 3.0
ERROR: Invalid compute style (../modify.cpp:847)
ÊÇʲôԭÒòÄØ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Demi
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ф¾û½­

Í­³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷! 2014-01-02 10:44:23
compute 5 all coord/atom 3.0,ÖÁÉÙÒ²µÃ×Ô¼ºÏȼì²é¼ì²é
2Â¥2014-01-01 22:30:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ЦЦ³î

½ð³æ (СÓÐÃûÆø)

δ֪

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷! 2014-01-02 10:44:28
ÄãҪ˵Ã÷¶Áµ½Äĸöcompute³öÏֵĴíÎóÄØ£¬ÓпÉÄÜÖ»ÊǵÚÈý¸ö´íÄØ£¬Èç¹ûÊÇÕâÑù£¬¿ÉÄܵ¥Î»²»Ò»Ö°ɣ¬ÄãµÄunits = real »òÕß metal Âð£¿
ÓÐÖ¾Õߣ¬Ê¾¹³É¡£
3Â¥2014-01-02 09:08:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

º«»¶»¶

½ð³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by ЦЦ³î at 2014-01-02 09:08:41
ÄãҪ˵Ã÷¶Áµ½Äĸöcompute³öÏֵĴíÎóÄØ£¬ÓпÉÄÜÖ»ÊǵÚÈý¸ö´íÄØ£¬Èç¹ûÊÇÕâÑù£¬¿ÉÄܵ¥Î»²»Ò»Ö°ɣ¬ÄãµÄunits = real »òÕß metal Âð£¿

¶î£¬ÎÒÊÇÔÚµÚÒ»¸öcompute¾Í³ö´íÁË£¬ÔËÐв»ÏÂÈ¥ÁË£¬¿´ÁËÊÖ²áûÕÒµ½½â¾ö°ì·¨£¬units=metal
Demi
4Â¥2014-01-02 09:32:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ЦЦ³î

½ð³æ (СÓÐÃûÆø)

δ֪

ÒýÓûØÌû:
4Â¥: Originally posted by º«»¶»¶ at 2014-01-02 09:32:59
¶î£¬ÎÒÊÇÔÚµÚÒ»¸öcompute¾Í³ö´íÁË£¬ÔËÐв»ÏÂÈ¥ÁË£¬¿´ÁËÊÖ²áûÕÒµ½½â¾ö°ì·¨£¬units=metal...

Õâ¸öÃüÁîºÜ¼òµ¥£¬Óï·¨²¢Ã»ÓÐÎÊÌâ¡£¿ÉÄÜÊÇÄãall µÄÎÊÌâ°É£¬Ä㶨ÒåÒ»ÏÂgroup£¬°Ñall¸Ä³É¿ÉÒÆ¶¯µÄgroupÊÔÊÔ
ÓÐÖ¾Õߣ¬Ê¾¹³É¡£
5Â¥2014-01-02 10:13:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

º«»¶»¶

½ð³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
5Â¥: Originally posted by ЦЦ³î at 2014-01-02 10:13:42
Õâ¸öÃüÁîºÜ¼òµ¥£¬Óï·¨²¢Ã»ÓÐÎÊÌâ¡£¿ÉÄÜÊÇÄãall µÄÎÊÌâ°É£¬Ä㶨ÒåÒ»ÏÂgroup£¬°Ñall¸Ä³É¿ÉÒÆ¶¯µÄgroupÊÔÊÔ...

àÅàÅ£¬ºÃµÄ£¬ÎÒÔÙ¿´¿´¡£Ð»Ð»Äã¹þ
Demi
6Â¥2014-01-02 16:09:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ º«»¶»¶ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 330Çóµ÷¼Á +3 С²Ä»¯±¾¿Æ 2026-03-18 3/150 2026-03-18 21:55 by ÎÞи¿É»÷111
[¿¼ÑÐ] ²ÄÁÏרҵÇóµ÷¼Á +5 hanamiko 2026-03-18 5/250 2026-03-18 20:19 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 344Çóµ÷¼Á +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +6 dÈçÔ¸Éϰ¶ 2026-03-12 9/450 2026-03-18 19:50 by macy2011
[¿¼ÑÐ] 0703»¯Ñ§ 305Çóµ÷¼Á +3 FY_yy 2026-03-14 3/150 2026-03-18 19:40 by macy2011
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +7 rare12345 2026-03-18 7/350 2026-03-18 14:31 by laoshidan
[¿¼ÑÐ] 070300»¯Ñ§319Çóµ÷¼Á +6 ½õÀð0909 2026-03-17 6/300 2026-03-18 13:22 by Iveryant
[¿¼ÑÐ] 280Çóµ÷¼Á +6 ¹¾ààÏþÏþ 2026-03-18 7/350 2026-03-18 11:25 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +6 À§ÓÚÐdz¿ 2026-03-17 6/300 2026-03-18 10:21 by kkcoco25
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 268Çóµ÷¼Á +6 ¼òµ¥µã0 2026-03-17 6/300 2026-03-18 09:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] 277µ÷¼Á +5 ×ÔÓɼå±ý¹û×Ó 2026-03-16 6/300 2026-03-17 19:26 by Àîleezz
[¿¼²©] 26É격 +4 °ËÑ®ËÙÀÀ 2026-03-16 4/200 2026-03-17 13:00 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] 0856Çóµ÷¼Á +3 ÁõÃÎ΢ 2026-03-15 3/150 2026-03-16 10:00 by houyaoxu
[»ù½ðÉêÇë] ÏÖÔÚÈçºÎ»Ø±ÜÈ¥ÄêµÄijһ¸öר¼Ò£¬²»ÖªµÀÃû×Ö +3 zk200107 2026-03-12 6/300 2026-03-14 17:13 by zk200107
[¿¼ÑÐ] ÕÐÊÕ0805£¨²ÄÁÏ£©µ÷¼Á +3 18595523086 2026-03-13 3/150 2026-03-14 00:33 by 123%¡¢
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +9 ßäßä¿Õ¿Õ 2026-03-12 9/450 2026-03-13 22:05 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] £Û0860£Ý321·ÖÇóµ÷¼Á£¬abÇø½Ô¿É +4 ±¦¹óÈÈ 2026-03-13 4/200 2026-03-13 22:01 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 304Çóµ÷¼Á +7 7712b 2026-03-13 7/350 2026-03-13 21:42 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û