| ²é¿´: 3033 | »Ø¸´: 13 | ||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||
ÎíϪ֮÷ÈÒø³æ (СÓÐÃûÆø)
|
[ÇóÖú]
ÇóÖúl202´íÎó
|
|
|
³öÏÖÕâ¸ö´íÎó£º Atoms too close. Error termination via Lnk1e in /home_soft/soft/x86_64/apps/CompChem/g09/l202.exe at Wed Oct 9 17:29:30 2013. Ã÷Ã÷ÔÚ¿ªÊ¼Ô×ÓÖ®¼ä¾àÀëºÜ´ó£¬ÎªÊ²Ã´ÓÅ»¯¹ý³ÌÖоÍÀ½ü¾àÀë×îºó³öÏÖÕâ¸öatoms too close µÄ´íÎóÄØ¡£Ð»Ð» |
» ²ÂÄãϲ»¶
´óÁ¬º£Ê´óѧ´¬²°½à¾»ÄÜÔ´Ñо¿ÖÐÐÄ2026Ä격ʿÑо¿ÉúÕÐÉúÆôÊÂ
ÒѾÓÐ10È˻ظ´
2026ÄêÏæÌ¶´óѧ½ÓÊÕ»¯Ñ§¹¤³ÌÓë¼¼ÊõÏà¹Ø·½ÏòѧÊõÐÍ˶ʿÑо¿Éúµ÷¼ÁÉú
ÒѾÓÐ1È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ275È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕ˶ʿÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
26Äê²ÄÁÏ/»¯Ñ§Ïà¹Ø×¨Òµ²©Ê¿Ñо¿ÉúÕÐÉú ÎÂÖÝ´óѧ»¯Ñ§Óë²ÄÁϹ¤³ÌѧԺ(26ÄêÇï¼¾Èëѧ)
ÒѾÓÐ0È˻ظ´
0703µ÷¼Á
ÒѾÓÐ2È˻ظ´
2026Ä격ʿÑо¿ÉúÕÐÉú
ÒѾÓÐ1È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÇóÖúÕâЩ´íÎóÊÇʲô
ÒѾÓÐ11È˻ظ´
linuxÏÂgaussÔËÐдíÎó
ÒѾÓÐ9È˻ظ´
ÇóÖú103´íÎ󡣡£¡£Ð»Ð»
ÒѾÓÐ3È˻ظ´
ÓÐËÓùýDZPÕâ¸ö»ù×é ÎÒÓÃG03Ò»¿ªÊ¼¾Í´í
ÒѾÓÐ8È˻ظ´
ÓÅ»¯½á¹¹³ö´í£¬Ã»ÌáʾÔÚÄÄ´íµÄ£¬ÇóÖú£¡
ÒѾÓÐ6È˻ظ´
¼¸ºÎ¹¹ÐÍÓÅ»¯±¨´í Çë´ó¼Ò°ïæ¿´ÏÂÊÇʲôÔÒò
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌÓøß˹09ËãÈܼÁ»¯µ¥µãʱ£¬ÔõÑùµÃµ½ÈܼÁÖеÄGibbs×ÔÓÉÄÜ£¿
ÒѾÓÐ9È˻ظ´
¼ÆËãµÄÅóÓÑ¿ìÀ´°ï棬IRCɨÃè´íÎóÎÊÌ⣬¼±¼±¼±£¡
ÒѾÓÐ11È˻ظ´
castep ½ô¼±ÇóÖú ´íÎóÐÅϢΪʲô
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿ÇëÎÊÕâÊÇʲô´íÎó£¿
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿ÇóÖúPW½á¹¹ÓÅ»¯Óöµ½µÄÎÊÌâ
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿´íÎóÔõô½â¾ö
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿ÓÃGaussian½øÐнṹÓÅ»¯
ÒѾÓÐ19È˻ظ´
¡¾ÇóÖú¡¿Gaussian SCRF ÓÅ»¯ÇóÖú
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿¸ß˹03³ö´í
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿½á¹¹ÓÅ»¯³öÏֵĴíÎó
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿L9999±¨´í
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿´íÎóÔÒò£¿
ÒѾÓÐ13È˻ظ´
hairan
ľ³æ (ÖøÃûдÊÖ)
î§Ë¯Ä¾³æ
- QCÇ¿Ìû: 3
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 1.06
- ½ð±Ò: 4974.3
- É¢½ð: 8072
- ºì»¨: 44
- Ìû×Ó: 2901
- ÔÚÏß: 733.4Сʱ
- ³æºÅ: 432069
- ×¢²á: 2007-08-12
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

8Â¥2013-10-10 09:18:37
chembetsey
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 125 (¸ßÖÐÉú)
- ½ð±Ò: 3820.1
- É¢½ð: 5
- ºì»¨: 9
- Ìû×Ó: 262
- ÔÚÏß: 281.8Сʱ
- ³æºÅ: 1781694
- ×¢²á: 2012-04-27
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2013-10-09 22:25:28
ǹÏÂÓλê
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 718 (²©ºó)
- ½ð±Ò: 8336.9
- É¢½ð: 175
- ºì»¨: 80
- Ìû×Ó: 1498
- ÔÚÏß: 542.6Сʱ
- ³æºÅ: 2620258
- ×¢²á: 2013-08-28
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
ÕâÖÖÇé¿öÒ»°ãÊÇÓÐÔ×ÓÖØµþ»òÕß½»²æÔÚÒ»ÆðÁË¡£¿ÉÓÃGV´ò¿ªÄãµÄgjfÎļþ¿´Ï³õʼÊäÈ룬Ҳ¿É¸ù¾ÝÂ¥ÉÏËù˵µÄ´ò¿ªÊä³öÎļþ¿´ÏÂÿ²½Ñ»·¡£ »¹Óв»ÖªµÀÄãÊDz»ÊÇÉèÁ˵ãȺ£¿Èç¹ûÉèÁ˵ãȺ£¬ÊDz»ÊÇֻҪдһ²¿·ÖÔ×Ó×ø±ê¼´¿É£¿¸ß˹ÏÂÎÒ²»ÉèµãȺ²»ÖªµÀ¶Ô²»¶Ô£¬GAMESSÏÂÊÇ¿ÉÒÔÕâÑùдµÄ¡£ |
3Â¥2013-10-10 07:25:23
hairan
ľ³æ (ÖøÃûдÊÖ)
î§Ë¯Ä¾³æ
- QCÇ¿Ìû: 3
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 1.06
- ½ð±Ò: 4974.3
- É¢½ð: 8072
- ºì»¨: 44
- Ìû×Ó: 2901
- ÔÚÏß: 733.4Сʱ
- ³æºÅ: 432069
- ×¢²á: 2007-08-12
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
Õâ¸öÒ»¶¨ÊÇÌåϵÖÐÓÐÖØÔ×Ó£¬¶Ô¸ÃÔ×ÓʹÓÃÁËØÍÊÆ»ù×飬µ«ÊÇÍüÁ˶¨ÒåØÍÊÆ¡£ ÕâÏ൱ÓÚÈËΪµÄÒÆ³ýÁËÖØÔ×ÓµÄÄÚ²ãµç×Ó£¬ Òò´ËÓÅ»¯ÖУ¬Î§ÈÆÖØÔ×ÓµÄÔ×Ó¼ä¾à»áÔ½À´Ô½¶Ì£¬¶Ìµ½¼«²»Õý³£¾Í»á³öÏÖÕâ¸ö´íÎó¡£ |
» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

4Â¥2013-10-10 08:34:26














»Ø¸´´ËÂ¥
ÎíϪ֮÷È