²é¿´: 4293  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

zwhgb

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Materials studio 5.0ÔÚ×öÓÅ»¯Ê±Äܲ»Ä̶ܹ¨²¿·ÖÔ­×Ó×ø±ê£¿ ÒÑÓÐ3È˲ÎÓë

Materials studio 5.0ÔÚ×öÓÅ»¯Ê±Äܲ»Ä̶ܹ¨²¿·ÖÔ­×Ó×ø±ê£¿



ÎÒÖªµÀ¸ß˹ÊÇ¿ÉÒԹ̶¨²¿·ÖÖ¸¶¨Ô­×Ó×ø±êµÄ¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

xx4751

Í­³æ (ÕýʽдÊÖ)

¡ï
zwhgb(½ð±Ò+1): лл²ÎÓë
ËÍÏÊ»¨Ò»¶ä
ÒýÓûØÌû:
687130Â¥: Originally posted by zzy870720z at 2010-07-22 11:20:13
Ϊʲô²»¿ÉÒÔ
¿ÉÒÔÑ¡ÔñËùÒª¹Ì¶¨µÄÔ­×Ó
modify->constraints
ÊÔÊÔ

Èç¹ûÏë¹Ì¶¨·ÖÊý×ø±êµÄij¸ö·½Ïò¿ÉÒÔÂð£¿Ä³¸ö·½Ïò.²»ÊÇÍêÈ«¹Ì¶¨
5Â¥2012-11-15 11:45:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

zzy870720z

ÈÙÓþ°æÖ÷ (ÎÄ̳¾«Ó¢)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï
zwhgb(½ð±Ò+1):лл²ÎÓë
zwhgb(½ð±Ò+5):ºÜºÃ Õâ¸öÎÒÒÔǰûÕÒµ½Õâ¸öÑ¡Ïî 2010-07-22 11:25:43
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-07-22 12:04:17
Ϊʲô²»¿ÉÒÔ
¿ÉÒÔÑ¡ÔñËùÒª¹Ì¶¨µÄÔ­×Ó
modify->constraints
ÊÔÊÔ

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

²©Ñ§¡¢ÉóÎÊ¡¢É÷˼¡¢Ã÷±æ¡¢óÆÑ§
2Â¥2010-07-22 11:20:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yindeqiang

Òø³æ (ÕýʽдÊÖ)

¡ï ¡ï
zwhgb(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-07-22 20:02:46
ms4.4µÄcastepÊÇ¿ÉÒԵģº castep can perform geometry optimization with constraints applied. the simplest type of constrait isi to fix the atom positions.
·ÖÏí´ïµ½¹²Ó®
3Â¥2010-07-22 16:57:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liufengbao100

ľ³æ (ÕýʽдÊÖ)

foreverhappy

¡ï
zwhgb(½ð±Ò+1):лл²ÎÓë
ÎÒÒ²ÊÇ×öÄ£ÄâµÄ2¥˵µÄ¿ÉÐÐ
³É³¤×ÜÊÇÍ´¿àµÄ£¬¼ÓÓÍ£¡
4Â¥2010-07-26 15:54:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] »ù½ðϵͳʲôÄÚÈÝҲûÓÐ 30+3 winsaint 2026-08-27 6/300 2026-08-28 01:46 by alongwaytogo
[»ù½ðÉêÇë] ͶƱ:  ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿ +15 °®¿´ÊéµÄ¿ÉÀÖ 2026-08-26 17/850 2026-08-28 01:23 by xxniao123
[»ù½ðÉêÇë] Ϊʲô×ÊÖúÊý¸÷´ó¸ßУ¶¼´´Ð¸ߣ¬×Ô¼ºÉêÇëÔõô¾ÍÕâôÄÑ +9 Kittylucky 2026-08-27 9/450 2026-08-28 01:08 by jurkat.1640
[»ù½ðÉêÇë] ÄÄλ¸ßÈËÖÐÁË£¬°Ñ²éѯµ½µÄ½ØÍ¼Ìù³öÀ´ÈÃÎÒ¿´¿´£¬ÈÃÎÒ³¤³¤¼ûʶ +5 yuleib84 2026-08-26 6/300 2026-08-28 00:02 by yudaoqian88
[»ù½ðÉêÇë] ÃæÉϺÏ×÷µ¥Î»¸ÇÕ +5 ssyjh 2026-08-27 5/250 2026-08-27 20:50 by gdfollow
[»ù½ðÉêÇë] »ù½ð²»ÖУ¬¹²Ãã +10 eulota 2026-08-26 10/500 2026-08-27 17:23 by lqllinqiaoli
[»ù½ðÉêÇë] Ôõô²é°¡ +5 huang1991js 2026-08-26 5/250 2026-08-26 16:09 by Equinoxhua
[»ù½ðÉêÇë] ·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë +9 Ñ׻ƹóëÐ 2026-08-22 10/500 2026-08-26 15:40 by semaglutide
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+25 ľˮ˼¶¹ 2026-08-25 28/1400 2026-08-26 14:53 by draco1987
[»ù½ðÉêÇë] ÄÜ·ñÍ˳ö²ÎÓëµÄÃæÉÏÏîÄ¿½â³ýÏÞÏî +23 koalala 2026-08-24 26/1300 2026-08-26 14:29 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»ù½ðÉêÇë] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[»ù½ðÉêÇë] ½ñÌìÎñί»á¿ªÍêÁË£¬Ã÷Ìì³ö½á¹ûÂð +19 angus9576 2026-08-25 23/1150 2026-08-26 10:03 by zp519
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +6 chengyan1220 2026-08-23 6/300 2026-08-25 19:45 by zfd97
[»ù½ðÉêÇë] ûÓÐÈκÎÏûÏ¢-ÊDz»ÊǾÍÁ¹ÁË +9 ͼÀ²Í¼À² 2026-08-24 10/500 2026-08-25 11:59 by ÄϺ£Ð¡¸ç
[½Ìʦ֮¼Ò] Ìø²ÛºóÔÚÑÐÏîÄ¿Ôõô°ì£¿ +5 ¼òµ¥»¯xn 2026-08-22 10/500 2026-08-23 12:38 by ¼òµ¥»¯xn
[»ù½ðÉêÇë] ¿´À´½ñÌì²»»á·Å°ñÁË£¿ +8 chengyan1220 2026-08-21 11/550 2026-08-21 17:52 by dcqxinyang
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û