²é¿´: 2320  |  »Ø¸´: 11
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xk6891

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


[½»Á÷] ¡¾ÇóÖú¡¿mdÅܼ¸°Ù²½Ö®ºóoutÎļþ³öÏÖNaN£¨ÎÞ±¨´í£©

×öÁËÒ»¸öÖÜÆÚÐÔµÄÄ£Ä⣬һֱÀ§ÈÅÎÒµÄÎÊÌ⣬wavefunction optimizeÓëgeometry optimize¶¼×öÁË£¬¶øÇÒ¶¼ÊÕÁ²ÁË£¬ÎªÁËʵÑéÊÕÁ²Ìõ¼þ½µµÍÁËÁ½Èý¸öÊýÁ¿¼¶£¬ÎªÊ²Ã´ÅÜmdʱ£¬ÅÜÁË200£¬300²½Ö®ºó×ÜÊdzöÏÖNaNµÄ×ÖÑù£¬Õâ´ó¸ÅÊÇʲôÎÊÌ⣬NaN´ú±íʲô£¿£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

baoer3808

Òø³æ (СÓÐÃûÆø)


¡ï
xk6891(½ð±Ò+1):лл²ÎÓë
ÎÒÒ²Óöµ½µÄÊÇÕâ¸öÎÊÌâ
3Â¥2010-11-19 09:46:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 12 ¸ö»Ø´ð

coolrainbow

ľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï ¡ï
xk6891(½ð±Ò+1):лл²ÎÓë
xk6891(½ð±Ò+2):ллר¼Ò£¬¹þ¹þ£¬ÄܸøÁгöһЩ¿ÉÄܳöÎÊÌâÏîĿô 2010-11-12 18:37:07
ghcacj(½ð±Ò+2):лл 2010-11-13 12:06:05
NaNÊÇIEEEÖзÇÊýµÄÒâ˼£¬±íÃ÷ÌåϵµÄÄÜÁ¿¹ý¸ß»òÕßijЩÉèÖò»ºÏÀí
2Â¥2010-11-12 17:38:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xk6891

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)


¡ï
zh1987hs(½ð±Ò+1):¹ÄÀø½»Á÷ 2010-11-19 13:54:45
ÒýÓûØÌû:
Originally posted by baoer3808 at 2010-11-19 09:46:27:
ÎÒÒ²Óöµ½µÄÊÇÕâ¸öÎÊÌâ

¸öÈ˸оõ»¹ÊÇÓÅ»¯×öµÄ²»ºÃ»òÕßmdµÄÊäÈëÎļþдµÄ²»ºÏÀí£¬ÏÖÔÚÎÒµÄÒѾ­²»NaNÁË¡«¡«µ«Êǽá¹û»¹ÊDz»ºÏÀí
4Â¥2010-11-19 12:59:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baoer3808

Òø³æ (СÓÐÃûÆø)


¡ï
zh1987hs(½ð±Ò+1):¹ÄÀø½»Á÷ 2010-11-19 21:09:43
ÎÒµÄÒ²²»NaNÁË£¬¿ÉÊÇmd¹ý³ÌÖÐζÈì­Éý¡¤¡¤¡¤¡¤¡¤
5Â¥2010-11-19 18:59:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[½Ìʦ֮¼Ò] ½¹ÂÇ +8 Ë®±ùÔÂÔÂÒ°Íà 2026-03-13 12/600 2026-03-18 15:27 by ßäÎØß÷ÎØ
[¿¼ÑÐ] »¯Ñ§¹¤³Ì321·ÖÇóµ÷¼Á +15 ´óÃ×·¹£¡ 2026-03-15 18/900 2026-03-18 14:52 by haxia
[¿¼ÑÐ] 297Çóµ÷¼Á +8 Ï·¾«µ¤µ¤µ¤ 2026-03-17 8/400 2026-03-18 14:30 by laoshidan
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á £¬Áù¼¶Òѹý£¬ÓпÆÑо­Àú +10 êØÎõÙâ 2026-03-15 10/500 2026-03-18 14:19 by 007_lilei
[¿¼ÑÐ] 0854£¬¼ÆËã»úÀàÕÐÊÕµ÷¼Á +3 ºúÀ±ÌÀ·ÅÌÇ 2026-03-15 6/300 2026-03-18 12:09 by Éϰ¶Éϰ¶¡­¡­..
[¿¼ÑÐ] 299Çóµ÷¼Á +5 ¡÷С͸Ã÷* 2026-03-17 5/250 2026-03-18 11:49 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 301Çóµ÷¼Á +9 yyÒªÉϰ¶Ñ½ 2026-03-17 9/450 2026-03-18 08:58 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 296Çóµ÷¼Á +5 ´ó¿Ú³Ô·¹ ÉíÌ彡 2026-03-13 5/250 2026-03-17 21:05 by ²»»ó¿ÉÀÖ
[¿¼ÑÐ] ±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶ +16 ²»ÖªµÀ½Ðʲô£¡ 2026-03-15 18/900 2026-03-17 17:05 by ruiyingmiao
[¿¼ÑÐ] 332Çóµ÷¼Á +6 Zz°æ 2026-03-13 6/300 2026-03-17 17:03 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸£¬¸£ÖÝ´óѧ²ÄÁÏר˶339·ÖÇóµ÷¼Á +3 ľ×ÓmomoÇàÕù 2026-03-15 3/150 2026-03-17 07:52 by laoshidan
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +3 zhouzhen654 2026-03-16 3/150 2026-03-17 07:03 by laoshidan
[¿¼ÑÐ] 304Çóµ÷¼Á +5 ËØÄê¼ÀÓï 2026-03-15 5/250 2026-03-16 17:00 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +6 Çñgl 2026-03-12 7/350 2026-03-13 23:24 by Çñgl
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ¿ÆÑ§Ó빤³Ì/×Ü·Ö295/ÇóÊÕÁô +9 2026µ÷¼ÁÏÀ 2026-03-12 9/450 2026-03-13 20:46 by 18595523086
[¿¼ÑÐ] ¹¤¿Æ278·ÖÇóµ÷¼Á +5 ÖÜÂýÈȰ¡ 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼Á +3 ³ÌÓ꺼 2026-03-12 3/150 2026-03-13 15:06 by JourneyLucky
[¿¼ÑÐ] һ־Ըɽ´ó07»¯Ñ§ 332·Ö ËÄÁù¼¶Òѹý ±¾¿ÆÉ½¶«Ë«·Ç Çóµ÷¼Á£¡ +3 ²»ÏëÀíÄã 2026-03-12 3/150 2026-03-13 14:18 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û