Znn3bq.jpeg
²é¿´: 2250  |  »Ø¸´: 20

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)

ÍâÐÇÇòÎÄ̳¾«Ó¢

±¾Ìû½öÂ¥Ö÷¿É¼û

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   ͬ·½Ïò¹ã²¥   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ɾ³ý   ²é¿´ÎÒµÄÖ÷Ò³

2008´ÓÈÝ

½ð³æ (СÓÐÃûÆø)

ͬÎÊ£¬Çë´óÏÀÖ¸µã
2Â¥2010-06-15 10:44:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
gjin101(½ð±Ò+1):%nprocshared=4 %nproclinda=µ¥»ú %mem=4000MB£¬¸ÃÔõÑùÄØ 2010-06-15 15:14:41
gjin101(½ð±Ò+1):MP2(6-31g(d,p)),¹ý¶É½ðÊôÓÃØÍÊÆ£¬µçºÉ+1£¬¶àÖØ2£¬ 2010-06-15 15:18:10
heyo_123(½ð±Ò+1):ÊÇÅ£ÈË£¬·ÇÉñ£¡ 2010-06-16 17:33:08
Ìåϵ¡¢·½·¨¡¢»ù×é¡¢»ùº¯ÊýµÄÊýÁ¿¡¢¼ÆËã×ÊÔ´£¨%nprocshared=?  %nproclinda=?  %mem=?  maxdisk=?£©£¬Ò»¸ö¶¼Ã»Ëµ¡­¡­³ý·ÇÊÇÉñ£¬Ã»ÈËÄܻشð

ÓÐÈË˵ÊÀ½çÉϱ¾Ã»ÓÐÉñ¡£·²ÈËÒ»µ©×öµ½ÁË·²È˲»ÄÜ×öµ½µÄÊÂÇ飬ÄÇôËû¾Í³ÉÁËÉñ¡£However£¬Õâ¸ö°æÉ϶¼ÊÇ·²ÈË¡­¡­

[ Last edited by yjcmwgk on 2010-6-15 at 12:28 ]
3Â¥2010-06-15 12:27:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangmt

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÎÒ½ÐMT

¡ï
heyo_123(½ð±Ò+1): 2010-06-17 21:24:50
gjin101(½ð±Ò+1):ÄÇôͬÑù»ù×飬DFTÓÅ»¯»á¿ìºÜ¶àÂð 2010-06-17 23:48:06
Õâô´óСµÄÌåϵ£¬mp2Èç¹û×öÓÅ»¯£¬2-3ÌìÔÙÕý³£²»¹ýÁË£¬Èç¹ûËãÆµÂÊ£¬Ò»¸öÐÇÆÚҲδ±Ø¡£Èç¹ûµ¥µãË㣬2-3ÌìÄǾÍÓÐÎÊÌâÁË¡£
ÓÃDFTµ±È»Òª¿ìºÜ¶àÁË¡£ÓÅ»¯Ò»ÌìÒ»¸ö²î²»¶àûÎÊÌ⡪¡ªµ±È»£¬ÄãµÄ³õʼ½á¹¹Ò²ºÜÖØÒª£¬µ«ÏàͬÇé¿öÏ£¬DFT±Èmp2¿ì¼¸±¶ÊDz»³ÉÎÊÌâµÄ¡£ËùÒÔÒ»°ã¿ÆÑÐÖУ¬ÄãÕâÑùµÄÌåϵ£¬¶¼ÊÇDFTÓÅ»¯µÄ£¬Èç¹ûΪÁ˵õ½¸ü¾«È·µÄÄÜÁ¿Êý¾Ý£¬¿ÉÒÔÔÚDFTÓÅ»¯½á¹¹µÄ»ù´¡ÉÏ£¬×öÒ»¸öµ¥µãËã¾Í¿ÉÒÔÁË£¬·¢3.0×óÓÒµÄÎÄÕÂÔÚÊý¾ÝÉÏÊÇ¿ÉÒÔ¹ý¹ØµÄÁË¡£

[ Last edited by zhangmt on 2010-6-18 at 01:19 ]
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
4Â¥2010-06-17 20:54:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wang0912302

Ìú³æ (ÕýʽдÊÖ)

°Ý¶Á´óÎÄÁË£¬£¬£¬

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by zhangmt at 2010-06-17 20:54:55:
Õâô´óСµÄÌåϵ£¬mp2Èç¹û×öÓÅ»¯£¬2-3ÌìÔÙÕý³£²»¹ýÁË£¬Èç¹ûËãÆµÂÊ£¬Ò»¸öÐÇÆÚҲδ±Ø¡£Èç¹ûµ¥µãË㣬2-3ÌìÄǾÍÓÐÎÊÌâÁË¡£
ÓÃDFTµ±È»Òª¿ìºÜ¶àÁË¡£ÓÅ»¯Ò»ÌìÒ»¸ö²î²»¶àûÎÊÌ⡪¡ªµ±È»£¬ÄãµÄ³õʼ½á¹¹Ò²ºÜÖØÒª£¬µ«ÏàͬÇé¿ö ...

°Ý¶Á´óÎÄÁË£¬£¬£¬Ð¡µÜÑÐÒ»£¬Ä¿±êºÜ¼òµ¥¾ÍÊÇ3.0µÄ£Ê£Ã£Ð£¬£¬£¬¿ÒÇë´óϺ°ïÖúºÍÖ¸µã£¬ÎÒÓõÄÊǣ£³£Ì£Ù£Ð¼ÆËãµÄ£Á£ì£Æ£åÌåϵ£¬³õʼ¹¹ÐÍÏÈÊÇÔڣģí£ï£ì£³ÀïÃæÓÅ»¯µÄ£¬ÄÇôÎÒµÄÎÊÌâ¾ÍÊǶÔÓÚ¸ø¶¨Ä£ÐÍÎÒÊÇÖ»½øÐÐÒ»´Î£¨£Ã£ï£á£ò£ó£å£©¼¶±ðµÄ£Ä£ù£î£á£í£é£ãºó£Ç£å£ï£í£å£ô£ò£ù¡¡£Ï£ð£ô£é£ï£î£óÄØ£¿»¹ÊÇÔÚÕâ¸ö£Ä£ù£î£á£í£é£ã»ù´¡Ö®ÉÏÔÙ½øÐÐÁ½´Î£¨£Í£å£ä£é£õ£í£©ºÍ£¨£Æ£é£î£å£©¼¶±ðµÄ£Ä£ù£î£á£í£é£ãÄØ£¿È·Êµ£Ä£ù£î£á£í£é£ãºÜºÄʱ£¬ËãÆðÀ´ºÜÂý¡£µ«ÊÇÎÒ¾õµÃÕâÑù»á½Ó½ü¹¹Ð͵ÄÕæÊµÄ£ÐÍ¡£ÀϰåµÄÒâ˼¾ÍÊÇÒ»´Î£¨£Ã£ï£á£ò£ó£å£©µÄ£Ä£ù£î£á£í£é£ãÖ®ºó·Ö±ðÈý´ÎµÄ£¨£Ã£ï£á£ò£ó£å£©£¨£Í£å£ä£é£õ£í£©£¨£Æ£é£î£å£©¼¶±ðµÄ£Ç£å£ï£í£å£ô£ò£ù¡¡£Ï£ð£ô£é£ï£î£ó¾Í¿ÉÒÔÁË£¬ÕâÑù×Ӻܿ죬µ«ÊÇÎҸоõ²»ÊǺÜ׼ȷ£¬¿ÒÇë´óϺָµã£¬£¬£¬
5Â¥2010-06-18 09:23:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangmt

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÎÒ½ÐMT

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
±§Ç¸£¬Ã»ÓùýDMol£¬²»¸Ò˵¡£¡£Äãû˵ÄãËãµÄÊÇÆøÏà·Ö×Ó·´Ó¦£¬»¹ÊDZíÃæ²ÄÁÏ£¬ÎÒ²»¸ÒÂÒ˵¡£ÊÇÖÜÆÚÐÔÌåϵ£¬»¹Êǽö½öÒ»¸ö·Ö×Ó£¬²»¸ÒϹ²Â¡£¾ÍֻģÄâÒ»¸ö¹¹ÐÍ£¬·¢²»ÁËJCP£¬ÖÁÉÙÒªÓлúÀí£¬²¢ÓëʵÑéÊý¾Ý»¥ÏàÑéÖ¤°É¡£Ö»Óùýgaussian£¬¶øÄã˵µÄÐÅÏ¢ÎÒ¶¼Ã»½Ó´¥¹ý£¬²»¸Ò²Â²â¡£¡£Æ®¹ý¡£¡£
ÇëÆäËûר¼ÒÔ®ÊÖ¡£
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
6Â¥2010-06-18 09:31:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

coolrainbow

ľ³æ (ÖøÃûдÊÖ)

δÀ´¹ú¼Ò¶³Á¹

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÎÒÑо¿ÉúÈýÄêµÄÄ¿±ê¶¨Îª0.937µÄ¸ßµÈ»¯Ñ§Ñ§±¨
¼¼Êõ²©¿Í£ºhttp://hi.baidu.com/coolrainbow/blog
7Â¥2010-06-18 09:53:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangmt

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÎÒ½ÐMT

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÄÇÊÇÀϰå¶ÔÄã×î´óµÄÖ§³Ö°¡¡£
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
8Â¥2010-06-18 11:52:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)

ÍâÐÇÇòÎÄ̳¾«Ó¢

±¾Ìû½öÂ¥Ö÷¿É¼û
9Â¥2010-06-18 14:04:10
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÐÐÀ²£¬coolÄãÓÖÔÚÕâÀïºöÓÆÈË¡£Äã·¢¸ßµÈ»¯Ñ§Ñ§±¨£¿Ë­ÐŰ¡¡­¡­ÄãµÄ¼ÆËãÈÎÎñÀïµÄϽÅÁ϶¼¹»JPC¡¢JCPÁË

[ Last edited by yjcmwgk on 2010-6-18 at 14:06 ]
10Â¥2010-06-18 14:05:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ gjin101 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-10 16/800 2026-04-12 10:48 by zhouyuwinner
[¿¼ÑÐ] 346·Ö£¬¹¤¿Æ0854Çóµ÷¼Á£¬×¨Ë¶ +4 moser233 2026-04-12 4/200 2026-04-12 10:30 by Öí»á·É
[¿¼ÑÐ] ²ÄÁϹ¤³ÌÈÕÓÉúÇóµ÷¼Á +7 0856?µ÷¼Á 2026-04-10 7/350 2026-04-11 21:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085400 328·Ö Çóµ÷¼Á +10 ιÄãÒ»¸ö´ó³È×Ó 2026-04-09 14/700 2026-04-11 19:53 by lqspecial
[¿¼ÑÐ] 295Çóµ÷¼Á +6 ?ÒªÉϰ¶? 2026-04-05 7/350 2026-04-11 19:02 by laoshidan
[¿¼ÑÐ] ũҵ¹ÜÀí302·ÖÇóµ÷¼Á +3 xuening1 2026-04-10 3/150 2026-04-11 10:18 by zhq0425
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á +9 ·²ÓïÆíÔ¸ 2026-04-08 10/500 2026-04-10 23:26 by 314126402
[¿¼ÑÐ] 284Çóµ÷¼Á +19 èó@@ 2026-04-06 21/1050 2026-04-10 21:12 by zhouxiaoyu
[¿¼ÑÐ] 266Çóµ÷¼Á +29 ÑôÑôÍÛÈû 2026-04-07 29/1450 2026-04-10 16:20 by ¸ßά´º
[¿¼ÑÐ] Ò»Ö¾Ô¸0703»¯Ñ§ÕÐ61×îÖÕÅÅÃû62»¯Ñ§Çóµ÷¼Á +24 ÕÐ61ÅÅÃû62 2026-04-07 28/1400 2026-04-10 16:15 by yx54321
[¿¼ÑÐ] 273Çóµ÷¼Á +51 ÂóС¶£µ± 2026-04-06 58/2900 2026-04-10 15:54 by jiajinhpu
[¿¼ÑÐ] »úеר368 ÓÐÈ¥´¦Âð +4 ÖÖ´óÊ÷ 2026-04-10 4/200 2026-04-10 15:31 by jiajinhpu
[¿¼ÑÐ] 085800 ÄÜÔ´¶¯Á¦Çóµ÷¼Á +6 °¢biu°¡°¡°¡°¡°¡ 2026-04-10 6/300 2026-04-10 15:03 by hemengdong
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +19 zj8215216 2026-04-06 19/950 2026-04-10 09:36 by 690616278
[¿¼ÑÐ] 08¹¤Ñ§ 309·ÖÇóµ÷¼Á +6 Yin DY 2026-04-08 6/300 2026-04-10 09:18 by Delta2012
[¿¼ÑÐ] 297Çóµ÷¼Á +27 GENJIOW 2026-04-07 30/1500 2026-04-09 23:20 by wolf97
[¿¼ÑÐ] 1U¶Ü¼ÇµÃ¼ÇµÃ¾Í +9 sanjin020722 2026-04-08 10/500 2026-04-09 14:11 by Ê«Óë×ÔÓÉ
[¿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] ²ÄÁϵ÷¼Á +14 Ò»ÑùYWY 2026-04-05 15/750 2026-04-09 13:36 by ¹ÊÈË??
[¿¼ÑÐ] 298Çóµ÷¼Á +4 manman511 2026-04-05 4/200 2026-04-08 16:50 by tjzhao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û