Znn3bq.jpeg
²é¿´: 3255  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

dyc_2008

¾èÖú¹ó±ö (ÖøÃûдÊÖ)

[ÇóÖú] LAMMPSÖÐÈçºÎ¹¹½¨ÈÜÖÊÔ­×ÓËæ»ú·Ö²¼µÄ¹ÌÈÜÌå ÒÑÓÐ2È˲ÎÓë

LAMMPSÖÐÈçºÎ¹¹½¨ÈÜÖÊÔ­×ÓËæ»ú·Ö²¼µÄ¹ÌÈÜÌ壿
ÊÇÓÐÊ²Ã´ÌØÊâµÄÃüÁ
»¹ÊÇÒª½èÖúÊ²Ã´ÌØÊâµÄÈí¼þ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

Ò»²¼¸£Ì¶þÐÞÆÐÌá
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

С×äÎÞÃû

½ð³æ (СÓÐÃûÆø)

Õâ¸öºÜ¼òµ¥¾Í¿ÉÒÔʵÏÖ¡£¼ÙÉèÄãµÄ¹ÌÈÜÌåÊÇA-B£¬½á¹¹ÊÇfcc½á¹¹¡£ÀàËÆÕâÑùµÄ´úÂë¾Í¿ÉÒÔʵÏÖ
lattice fcc ${lc}
region box block 0 ${xmax} 0 ${ymax} 0 ${zmax}
create_box 2 box
create_atoms 1 region box

set type 1 type/fraction 2 ${content} ${yourSeed}
ÕâÑù¾Í¿ÉÒÔÁË
6Â¥2016-01-25 12:54:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

alundilong

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
energy minimize¾Í¿ÉÒÔÁË
2Â¥2015-08-23 02:27:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

alundilong

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
dyc_2008: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2015-08-23 10:04:53
»òÕß²ÉÓÃmoltemplate¹¤¾ß
Õâ¸ö¹¤¾ßÔÚtools/moltemplateÏÂ

moltemplate.sh system.lt
ÔÚsystem.ltÀïÃæÓÃrandomÃüÁî

Àý×Ó¿ÉÒÔÔÙÍøÉÏÕÒµ½£¬
±ÈÈç
myMol = new random([mol1, mol2, mol3], [0.2, 0.3, 0.5], 102993) # 1.·Ö×ÓÁÐ±í£¬2. Ũ¶ÈÁÐ±í£¬Ëæ»úseed
                    [10].move(10, 0, 0).rot(180, 1, 0, 0) # ÔÚx·½Ïò´´10¸ö£¬¼ä¾àΪ10A£¬ÈÆ×ÅxÖáÁ¬ÐøÐýת180¶È
                    [2].move(0,2,0).rot(90, 0, 1, 0) # ÔÚy·½ÏòÉÏ´´2¸ö£¬¼ä¾àΪ2A£¬ ÈÆ×ÅyÖáÐýת90¶È
                    [9].move(0,0.8).rot(29, 0, 0, 1) # ÔÚz·½ÏòÉÏ´´9¸ö£¬¼ä¾àΪ8A£¬ÈÆ×ÅzÖáÐýת29¶È
3Â¥2015-08-23 06:00:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dyc_2008

¾èÖú¹ó±ö (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by alundilong at 2015-08-23 06:00:16
»òÕß²ÉÓÃmoltemplate¹¤¾ß
Õâ¸ö¹¤¾ßÔÚtools/moltemplateÏÂ

moltemplate.sh system.lt
ÔÚsystem.ltÀïÃæÓÃrandomÃüÁî

Àý×Ó¿ÉÒÔÔÙÍøÉÏÕÒµ½£¬
±ÈÈç
myMol = new random(, , 102993) # 1.·Ö×ÓÁÐ±í£¬2. Ũ¶ÈÁбí ...

·Ç³£¸Ðл£¬µ«ÊÇ£º
ÎÒÖ¸µÄÊǹÌÈÜÌ壨Ҳ¾ÍÊǺϽ𣩡£
Ô­×ÓÊÇÖÜÆÚÐÔ·Ö²¼µÄ£¬ÎÒµÄÄ¿µÄÊÇÒªËæ»úÌæ»»ÆäÖÐһЩԭ×Ó£¬À´ÊµÏÖ¹ÌÈÜÌå¡£
Ò»²¼¸£Ì¶þÐÞÆÐÌá
4Â¥2015-08-23 10:04:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸085802 323·ÖÇóµ÷¼Á +12 drizzle_9 2026-04-12 13/650 2026-04-13 01:15 by ÐÒÃâ ..
[¿¼ÑÐ] 268·Ö085602»¯Ñ§¹¤³Ìµ÷¼Á +31 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-09 31/1550 2026-04-12 23:37 by ѧzh
[¿¼ÑÐ] 335Çóµ÷¼Á +13 ÏëÉϰ¶Ñ½£¡£¡ 2026-04-12 13/650 2026-04-12 11:37 by ²ñС°×
[¿¼ÑÐ] µçÆø¹¤³Ìר˶320Çóµ÷¼Á +5 СÂé×Ó111 2026-04-10 5/250 2026-04-12 10:47 by zhouyuwinner
[¿¼ÑÐ] 327Çóµ÷¼Á +5 ʰ¹âÈÎȾ 2026-04-06 5/250 2026-04-12 02:29 by Çï¶¹²ËÑ¿
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +8 Â꿨°Í¿¨boom 2026-04-10 8/400 2026-04-12 00:07 by zhouwenxian
[¿¼ÑÐ] 296Çóµ÷¼Á +8 Íô£¡£¿£¡ 2026-04-09 8/400 2026-04-11 21:02 by ÄæË®³Ë·ç
[¿¼ÑÐ] 284Çóµ÷¼Á +11 archer.. 2026-04-09 12/600 2026-04-11 20:23 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 352 Çóµ÷¼Á +6 yzion 2026-04-11 8/400 2026-04-11 16:24 by Ã÷Ô´ËʱÓÐ
[¿¼ÑÐ] 0854µ÷¼Á +5 ÒôÏñµêÌý»¨¹ÄÏ· 2026-04-10 5/250 2026-04-11 10:49 by qingpingzhu
[¿¼ÑÐ] µ÷¼Á »¯Ñ§ 307 +21 73372112 2026-04-09 23/1150 2026-04-10 23:53 by wj165256
[¿¼ÑÐ] 282£¬µçÆø¹¤³Ìרҵ£¬Çóµ÷¼Á£¬²»Ìôרҵ +9 jggshjkkm 2026-04-10 9/450 2026-04-10 14:55 by ÄæË®³Ë·ç
[¿¼ÑÐ] »úе»¹Óл¹ÓÐÃû¶îÂð£¿Ì«ÄÑÁË +6 ЦЦԬ 2026-04-10 6/300 2026-04-10 11:54 by ¸ßά´º
[¿¼ÑÐ] ²ÄÁÏר˶µ÷¼Á +16 ¹þ¹þ¹þºðºðºð¹þ 2026-04-07 17/850 2026-04-09 21:16 by wutongshun
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +13 ÏàÐűػá¹ââÍòÕ 2026-04-06 16/800 2026-04-09 13:54 by ÐìÁ¼°×ü´óÏÀ
[¿¼ÑÐ] 0860004 Çóµ÷¼Á 309·Ö +6 Yin DY 2026-04-09 6/300 2026-04-09 10:19 by °¡Àî999
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬³õÊÔ329£¬Çó»·¾³¿ÆÑ§Ó빤³Ìµ÷¼Á£¡ +11 ÓàδÐÁ 2026-04-06 11/550 2026-04-08 15:21 by screening
[¿¼ÑÐ] ÉúÎïѧ363µ÷¼ÁÇóÖú +7 fanzhang6666 2026-04-06 9/450 2026-04-07 17:37 by lijunpoly
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 Ò»ÑùYWY 2026-04-07 11/550 2026-04-07 15:13 by shdgaomin
[¿¼ÑÐ] 362Çóµ÷¼ÁÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ +4 ÎÒÒª¿¼´ó 2026-04-06 6/300 2026-04-06 14:11 by Î޼ʵIJÝÔ­
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û