±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 653  |  »Ø¸´: 2

kathy2008

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] ÈçºÎ´´½¨driver routine

Ïë°ÑNBO£¨Natural Bond Orbital£©ÕâÒ»³ÌÐòÁ´½ÓÉÏÎÒËùÔÚʵÑéÊÒ¿ª·¢µÄÒ»¸ö³ÌÐòÉÏ£¬NBO manualÉÏ˵ÐèÒªcreate driver routine£¬²»Öª¸÷λÓкθ߼û¡£Ð»Ð»¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

snoopyzhao

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
kathy2008: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2012-07-09 15:11:36
Õâ¸öÄã¿ÉÒԲο¼Ò»Ï NBO Ô´ÂëÖÐ×Ô´øµÄһЩ driver£¬Èç¹ûûÓÐ¼Ç´í£¬ÖÁÉÙÓÐÓë Gaussian£¬GAMESS£¬ÉõÖÁ Mopac µÄ driver¡£

Èç¹û×îаæÖÐûÓУ¬Äã¿ÉÒÔËÑÒ»ÏÂÔçÏȵİ汾£¨3.0£©£¬ÎҼǵÃÖÁÉÙÓÐ GAMESS µÄºÍ Mopac µÄ¡­¡­
2Â¥2012-07-09 08:32:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

kathy2008

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by snoopyzhao at 2012-07-09 09:32:44
Õâ¸öÄã¿ÉÒԲο¼Ò»Ï NBO Ô´ÂëÖÐ×Ô´øµÄһЩ driver£¬Èç¹ûûÓÐ¼Ç´í£¬ÖÁÉÙÓÐÓë Gaussian£¬GAMESS£¬ÉõÖÁ Mopac µÄ driver¡£

Èç¹û×îаæÖÐûÓУ¬Äã¿ÉÒÔËÑÒ»ÏÂÔçÏȵİ汾£¨3.0£©£¬ÎҼǵÃÖÁÉÙÓÐ GAMESS µÄºÍ Mopac µÄ¡­ ...

¶àл½â´ð¡£
3Â¥2012-07-09 15:11:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ kathy2008 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼²©] É격ÇóÖú +3 Reee1Llll 2026-04-01 3/150 2026-04-02 22:29 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¹¤Òµ´óѧ£¬324·ÖÇóµ÷¼Á +7 Áã°Ë# 2026-03-28 7/350 2026-04-02 21:09 by 1104338198
[¿¼ÑÐ] ÇóÉúÎïѧµ÷¼Á +10 15172915737 2026-04-01 10/500 2026-04-02 18:53 by ŶŶàŹþ
[¿¼ÑÐ] 413Çóµ÷¼Á +3 ¿Âijij 2026-03-31 3/150 2026-04-02 16:59 by zzsw+
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼ÁÒ»Ö¾Ô¸¹þ¹¤´ó324 +10 ãÆÐñ¶« 2026-03-28 12/600 2026-04-02 14:37 by olim
[¿¼ÑÐ] 298ÇóBÇøµ÷¼Á +4 zzz£¬£¬r 2026-04-02 5/250 2026-04-02 12:17 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©Àí¹¤´óѧ±¾¿Æ211²ÄÁϹ¤³Ì294Çóµ÷¼Á +8 mikasaµÄΧ½í 2026-03-28 9/450 2026-04-02 12:09 by ms629
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸ÖÐɽ´óѧÉîÛÚ²ÄÁϹ¤³Ì330Çóµ÷¼Á +8 pipiver 2026-03-30 8/400 2026-04-02 12:01 by ms629
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸ÄÏʦ´ó334Çóµ÷¼Á +4 seven7yu 2026-03-30 4/200 2026-04-01 16:10 by oooqiao
[¿¼ÑÐ] 0856£¬²ÄÁÏÓ뻯¹¤321·ÖÇóµ÷¼Á +13 ´ó²öС×Ó 2026-03-27 14/700 2026-04-01 15:58 by yanflower7133
[¿¼ÑÐ] 285Çóµ÷¼Á +5 FZAC123 2026-03-30 5/250 2026-04-01 15:50 by º«Ó꺭
[¿¼ÑÐ] ʡ˫һÁ÷ÖØµãÒ»±¾´óѧÕÐÊÕµ÷¼Á +4 wwwwffffff 2026-03-31 7/350 2026-04-01 15:23 by wwwwffffff
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷½»´ó080500²ÄÁÏѧ˶349 +6 jqx1258 2026-03-31 7/350 2026-03-31 21:08 by yuq
[¿¼ÑÐ] 0856Çóµ÷¼Á +9 —öèñ 2026-03-28 9/450 2026-03-31 19:06 by ĺÔó12
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤272Çóµ÷¼Á +25 °¢Ë¹µÙ·Ò2004 2026-03-28 25/1250 2026-03-31 16:27 by hypershenger
[¿¼ÑÐ] 289Çóµ÷¼Á +3 Acesczlo 2026-03-29 4/200 2026-03-31 14:48 by ÈÈÇéɳĮ
[Óлú½»Á÷] ¼×»ùÑǻǻÇËáÄÆºÍ¼×»ù»ÇËáõ¥·´Ó¦»úÀí 10+3 kaobao456 2026-03-29 4/200 2026-03-30 23:16 by nBuï®
[¿¼ÑÐ] ±§Ç¸ +4 ÌïºéÓÐ 2026-03-30 4/200 2026-03-30 21:26 by mumin1990
[¿¼ÑÐ] 297 µØÀíѧ070500 ¸´ÊÔÇóµ÷¼Á +3 СԲȦȦooo 2026-03-30 3/150 2026-03-30 21:05 by ÓàÕðyz
[¿¼ÑÐ] 279Çóµ÷¼Á +4 µûÎèÇáÈÆ 2026-03-29 4/200 2026-03-29 09:45 by laoshidan
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û