²é¿´: 638  |  »Ø¸´: 3

×îºóµÄÕÅÆðÁé

гæ (³õÈëÎÄ̳)

[ÇóÖú] GAMESSÇóÖú

Ê×ÏÈÉùÃ÷ÎÒÊÇÐÂÊÖ.....¹ØÓÚGAMESSÀïDATA   CS¶Ô³ÆÐÔÔõôÊäÈë°¡£¿»¹ÓР  GAMESS³ÌÐòÊÇÔõô·´Ñݵģ¿ÎªÊ²Ã´ÎÒÊäÈëÈý¸öÔ­×Ó×ø±ê    cs¶Ô³ÆÐÔ   ¿ÉÊÇÈ´·´Ñݳö5¸öÔ­×Ó£¿Ð»´óÉñÖ¸½Ì£¡£¡
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fmying

Òø³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
gmy1990: ½ð±Ò+3 2013-03-19 09:33:49
CS¶Ô³ÆÐÔ¾ÍдCS¾ÍºÃ¡£Èç¹ûÈçÏÂд·¨£º
$DATA
AAA
CS

A .....
$END

CSºóÃæ¸ú×Å¿ÕÐеϰ£¬±íʾÒÔGAMESSĬÈϵĶԳÆÃ棨XYÆ½Ãæ£©½øÐÐÍÆÑÝ¡£Ö»Òª½«ÄãµÄÌåϵµÄ×ø±ê°´ÕÕÕâ¸öÒªÇóȥд¾ÍÐС£ÄãµÄÎÊÌâ¿ÉÄÜÊǶԳÆÃæÃ»·ÅÔÚXYÆ½ÃæÉϵ¼Öµġ£Èç¹ûÏ£Íû²»°´ÕÕĬÈϵÄXYÆ½Ãæ¶Ô³ÆµÄ»°£¬ÐèÒªÔÚCSϸø³öÈý¸ö×ø±ê£¨Õ¼Á½ÐУ¬µÚÒ»ÐÐÁ½¸ö×ø±ê£¬µÚ¶þÐÐÒ»¸ö×ø±ê£©£¬Í¨¹ýÈý¸ö×ø±ê¸ø³ö¶Ô³ÆÃæ¡£Äܰ´ÕÕĬÈϵÄÀ´µÄ¾Í°´ÕÕĬÈϵİɣ¬Ð´ÆðÀ´Ò²¼òµ¥²»ÊÇô£¿

Èç¹û¾õµÃÂé·³µÄ»°£¬»¹ÓÐÒ»¸ö°ì·¨£º
$CONTRL COORD=PRINAXIS $END
ÀûÓÃPRINAXIS¹Ø¼ü×Ö£¬ÔÚ$DATAÖÐÖ¸Ã÷CS¶Ô³ÆÐÔ²¢¸ø³öÈ«²¿Ô­×ÓµÄ×ø±ê£¬GAMESS»á×Ô¶¯½«ÄãµÄÌåϵµÄ×ø±êµ÷Õûµ½±ê×¼¸ñʽ²¢¸ø³ö¶Ô³ÆÐÔÉ϶ÀÁ¢µÄÔ­×Ó£¬Ö»ÒªÄãµÄÌåϵ¾ß±¸CS¶Ô³ÆÐÔ¡£
ÉÏÉÆÈôË®
2Â¥2013-03-18 22:12:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fmying

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by fmying at 2013-03-18 22:12:31
CS¶Ô³ÆÐÔ¾ÍдCS¾ÍºÃ¡£Èç¹ûÈçÏÂд·¨£º
$DATA
AAA
CS

A .....
$END

CSºóÃæ¸ú×Å¿ÕÐеϰ£¬±íʾÒÔGAMESSĬÈϵĶԳÆÃ棨XYÆ½Ãæ£©½øÐÐÍÆÑÝ¡£Ö»Òª½«ÄãµÄÌåϵµÄ×ø±ê°´ÕÕÕâ¸öÒªÇóȥд¾ÍÐС£ÄãµÄÎÊÌâ¿ÉÄÜÊǶԳÆÃæÃ» ...

²¹³äһϣº¿ÕÐеĻ°Ö»ÒªÒ»ÐоÍÐС£
ÉÏÉÆÈôË®
3Â¥2013-03-18 22:13:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

×îºóµÄÕÅÆðÁé

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by fmying at 2013-03-18 22:13:10
²¹³äһϣº¿ÕÐеĻ°Ö»ÒªÒ»ÐоÍÐС£...

ллÀ²£¡ÇëÎÊÎÒÔõô²ÅÄܸøÄú½ð±ÒÄØ
4Â¥2013-03-21 23:07:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ×îºóµÄÕÅÆðÁé µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÌÎÌÎWjt 2026-03-22 5/250 2026-03-22 22:21 by jiangpengfei
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] 08¹¤¿Æ 320×Ü·Ö Çóµ÷¼Á +11 À滨çóÍí·ç 2026-03-17 11/550 2026-03-22 17:42 by luoyongfeng
[¿¼ÑÐ] 284Çóµ÷¼Á +5 Zhao anqi 2026-03-22 5/250 2026-03-22 17:38 by barlinike
[¿¼ÑÐ] »·¾³Ñ§Ë¶288Çóµ÷¼Á +6 ƤƤƤ123456 2026-03-22 6/300 2026-03-22 16:52 by i_cooler
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +5 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 5/250 2026-03-22 16:42 by tcx007
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ»¯Ñ§£¨0703£©×Ü·Ö337Çóµ÷¼Á +9 niko- 2026-03-19 10/500 2026-03-22 16:08 by ColorlessPI
[¿¼ÑÐ] Ò»Ö¾Ô¸ Î÷±±´óѧ £¬070300»¯Ñ§Ñ§Ë¶£¬×Ü·Ö287£¬Ë«·ÇÒ»±¾£¬Çóµ÷¼Á¡£ +3 ³¿»èÏßÓëÐǺ£ 2026-03-20 3/150 2026-03-22 16:00 by ColorlessPI
[¿¼ÑÐ] ¹¤¿Æ0856Çóµ÷¼Á +3 ãåÎö͡͡ 2026-03-21 3/150 2026-03-21 18:30 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304Çó BÇø µ÷¼Á +3 Çñgl 2026-03-21 3/150 2026-03-21 13:47 by lature00
[¿¼ÑÐ] 265Çóµ÷¼Á +12 ÁºÁºÐ£Ð£ 2026-03-19 14/700 2026-03-21 13:38 by lature00
[¿¼ÑÐ] 330Çóµ÷¼Á +4 С²Ä»¯±¾¿Æ 2026-03-18 4/200 2026-03-20 23:13 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +5 sbdksD 2026-03-19 5/250 2026-03-20 22:10 by luoyongfeng
[¿¼ÑÐ] Çóµ÷¼Á +3 eation27 2026-03-20 3/150 2026-03-20 19:32 by JourneyLucky
[¿¼ÑÐ] ÕÐÊÕµ÷¼Á˶ʿ +4 lidianxing 2026-03-19 12/600 2026-03-20 12:25 by lidianxing
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶µ÷¼Á +5 204818@lcx 2026-03-17 6/300 2026-03-18 22:55 by 204818@lcx
[¿¼ÑÐ] 312Çóµ÷¼Á +8 İå·Ï£ 2026-03-16 9/450 2026-03-18 12:39 by Linda Hu
[¿¼²©] 26É격 +4 °Ë6°Ë68 2026-03-16 4/200 2026-03-17 13:00 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©´óѧ£¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬µ÷¼Á +4 Jy? 2026-03-16 4/200 2026-03-17 11:02 by gaoqiong
[¿¼ÑÐ] 275Çóµ÷¼Á +4 Ì«Ñô»¨ÌìÌ쿪ÐÄ 2026-03-16 4/200 2026-03-17 10:53 by ¹¦·ò·è¿ñ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û