²é¿´: 1820  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

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

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
²é¿´È«²¿ 6 ¸ö»Ø´ð

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

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
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§¹¤³Ì321·ÖÇóµ÷¼Á +10 ´óÃ×·¹£¡ 2026-03-15 13/650 2026-03-17 06:57 by laoshidan
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +3 ´ó»ðɽС»ðɽ 2026-03-16 5/250 2026-03-16 16:54 by barlinike
[¿¼ÑÐ] 085600µ÷¼Á +5 ÑúÑú123sun 2026-03-12 6/300 2026-03-16 15:58 by ÑúÑú123sun
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 Ϊѧ666 2026-03-16 3/150 2026-03-16 15:09 by ¼ÓºÅ+
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] ÇóÀÏʦÊÕÁôµ÷¼Á +4 jiang½ª66 2026-03-14 5/250 2026-03-15 20:11 by Winj1e
[¿¼²©] »¶Ó­É격ͬѧÁªÏµ +3 ÌìµÀ³êÇÚ2026686 2026-03-10 7/350 2026-03-15 19:03 by ÌìµÀ³êÇÚ2026686
[¿¼ÑÐ] 080500£¬²ÄÁÏѧ˶302·ÖÇóµ÷¼ÁѧУ +4 ³õʶ¿ÉÀÖ 2026-03-14 5/250 2026-03-14 21:08 by peike
[¿¼ÑÐ] 290Çóµ÷¼Á +4 @½«¾Í½«¾Í¿´ 2026-03-10 8/400 2026-03-14 14:23 by ǧǧÔËÆø
[¿¼ÑÐ] ѧ˶285Çóµ÷¼Á +13 Wisjxn 2026-03-12 46/2300 2026-03-14 10:33 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ºþʦ´ó»¯Ñ§289Çóµ÷¼Á +6 XMCMM3.14159 2026-03-10 6/300 2026-03-14 00:28 by JourneyLucky
[¿¼ÑÐ] 341Çóµ÷¼Á +4 ·¬ÇÑÍ·--- 2026-03-10 4/200 2026-03-13 23:12 by JourneyLucky
[¿¼ÑÐ] 279Çóµ÷¼Á +3 Dizzy123@ 2026-03-10 3/150 2026-03-13 23:02 by JourneyLucky
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +4 ¿ìÀÖµÄÏã½¶ 2026-03-11 4/200 2026-03-13 22:41 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖпÆÔº£¬»¯Ñ§·½Ïò£¬295Çóµ÷¼Á +4 Ò»Ñõ¶þµª 2026-03-11 4/200 2026-03-13 22:35 by JourneyLucky
[¿¼ÑÐ] ËÄ´¨´óѧ085601²ÄÁϹ¤³Ìר˶ ³õÊÔ294Çóµ÷¼Á +4 ×£ÎÒÃǺÃÔÚ¶¬Ìì 2026-03-11 4/200 2026-03-13 21:39 by peike
[¿¼ÑÐ] ÍÁľµÚÒ»Ö¾Ô¸276Çóµ÷¼Á£¬¿ÆÑкͼ¼ÄÜÊ®·Ö·á¸»£¬ÇóÐÂÐË·½ÏòµÄµ¼Ê¦ÊÕÁô +3 ÍÁľСÌì²Å 2026-03-12 3/150 2026-03-13 15:01 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á ×ÊÔ´Óë»·¾³ 285 +3 δÃû¿¼Éú 2026-03-10 3/150 2026-03-13 10:31 by houyaoxu
[¿¼ÑÐ] Çóµ÷¼Á²ÄÁÏר˶293 +6 ¶Î_(:§Ù¡¹¡Ï)_ 2026-03-10 6/300 2026-03-10 18:22 by ms629
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û