Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 387  |  »Ø¸´: 3
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

Lucylee

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ÐÂÊÖ½ô¼±ÇóÖúGaussian¼ÆËãÎÊÌâ

Çë½Ì¸ßÊÖ¡£
ÎÒ¸ÕѧϰÓÃChem OfficeÔËÐÐGaussian£¬ÎªÊ²Ã´ÎÒÔÚChem Office 2006ÖеŤ×÷²Ëµ¥½øÐÐcalcualtion/gaussian interface/cumpute properties²Ù×÷ºó£¬³ö²»À´¹¤×÷Ãæ°å£¬Ð»Ð»À­¡£
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

suntao1982

ľ³æ (ÖøÃûдÊÖ)

Сľ³æ

ÄãûÓÐ×°gauss,¼´Ê¹×°ÁË£¬Ò²ÒªÉèÖÃÒ»ÏÂ
×öÖйúÈ˵Ļ¯Ñ§£¡£¡£¡£¡
2Â¥2008-01-10 20:40:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sandycug

½ð³æ (СÓÐÃûÆø)

ÐèÒª°Ñ·¾¶ÅäÖÃһϣ¬¾ÍÊÇÄã°²×°µÄ·¾¶
µ«ÊÇ¿ÖÅÂÄ㻹ÊÇ×Ô¼º×ögjfÎļþ±È½Ï±£ÏÕ
ÏÂÃæÊÇÒ»¸öÎļþʾÀý£¬Ö±½ÓÓüÇʰå×ö¾ÍºÃÁË
%chk=test.chk
%men=1000MB£¨ÄÚ´æ´óС×Ô¼ºÐ޸ģ©
#p ÄãËùÒªµÄ·½·¨/»ù×é ÒÔ¼°ÆäËü¿ØÖƲÎÊý

a test gaussian input file

0 1£¨´Ë´¦0ΪµçºÉ£¬1Ϊ×ÔÐý¶àÖØ¶È£¬¿ÉÒÔ×Ô¼ºÐ޸ģ©
ÄãµÄ·Ö×Ó×ø±ê£¬Õâ¿ÉÒÔÔÚ±£´æµÄchemofficeÀïÃæµÃµ½£¬»òÕßÓÃgaussviewÒ»ÑùÒ²¿ÉÒԴ¡£
3Â¥2008-01-10 21:00:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hairan

ľ³æ (ÖøÃûдÊÖ)

î§Ë¯Ä¾³æ

ÒýÓûØÌû:
Originally posted by Lucylee at 2008-1-10 18:55:
Çë½Ì¸ßÊÖ¡£
ÎÒ¸ÕѧϰÓÃChem OfficeÔËÐÐGaussian£¬ÎªÊ²Ã´ÎÒÔÚChem Office 2006ÖеŤ×÷²Ëµ¥½øÐÐcalcualtion/gaussian interface/cumpute properties²Ù×÷ºó£¬³ö²»À´¹¤×÷Ãæ°å£¬Ð»Ð»À­¡£

Èç¹ûÊÇרÃÅ×÷¼ÆËãµÄ£¬×öGaussianµÄÊäÈëÎļþ»¹ÊÇÓÃGaussian×Ô¼ÒµÄGaussViewΪÕýµÀ£¬ºÜ¶à¶«Î÷GaussView×Ô¶¯¸øÄãÌí¼ÓÁË
¾ÝȨÍþ±¨Ö½µ÷²é£¬84%µÄÇàÉÙÄê·¸×ïÕßÓÐÍæµç×ÓÓÎÏ·µÄ¾­Àú£¬¹ÊÓ¦¸Ã½ûÖ¹¾­Óªµç×ÓÓÎÏ·¡£¾ÝÎÒÃÇËùÖª£¬100%µÄÇàÉÙÄê·¸×ïÕßÓд©Ð¬µÄ¾­Àú£¬¹ÊÖÆÐ¬³§Ó¦¸ÃÍ£Òµ¡£
4Â¥2008-01-10 21:45:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Lucylee µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤085600£¬Çóµ÷¼Á +34 ³ÔµÄ²»ÉÙ 2026-04-02 34/1700 2026-04-07 20:01 by lrll?l
[¿¼ÑÐ] 333Çóµ÷¼Á +6 ºÏ³ËÑîϰϦ 2026-04-06 6/300 2026-04-07 09:44 by Öí»á·É
[¿¼ÑÐ] 304Çóµ÷¼Á +4 luoye0105 2026-04-05 4/200 2026-04-06 21:05 by ľ×Ó¾ý1218
[¿¼ÑÐ] 285Çóµ÷¼Á +5 mapmath 2026-04-06 6/300 2026-04-06 17:18 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 362Çóµ÷¼ÁÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ +4 ÎÒÒª¿¼´ó 2026-04-06 6/300 2026-04-06 14:11 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +7 ´ó²öС×Ó 2026-04-01 8/400 2026-04-05 21:19 by ѧԱ8dgXkO
[¿¼ÑÐ] 0860 Çóµ÷¼Á Ò»Ö¾Ô¸¹ú¿Æ´ó 348 ·Ö +3 WiiiP 2026-04-03 3/150 2026-04-05 17:43 by Ecowxq666£¡
[¿¼ÑÐ] 358Çóµ÷¼Á +7 Çïgk 2026-04-04 7/350 2026-04-05 13:29 by huangmoli
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±Å©ÁÖÐóÄÁר˶336·ÖÇóµ÷¼Á +3 5ourr 2026-04-03 3/150 2026-04-05 10:40 by JOKER0401
[¿¼ÑÐ] ¿É¿çרҵµ÷¼Á +3 ÖÜµÄµÃµØ 2026-04-04 6/300 2026-04-04 22:21 by barlinike
[¿¼ÑÐ] 282µç×ÓÐÅÏ¢0854ר˶µ÷¼Á +4 202451007219 2026-04-02 6/300 2026-04-04 21:55 by laoshidan
[¿¼ÑÐ] 085701Çóµ÷¼Á +7 ¹¨ÓíÃú 2026-04-04 8/400 2026-04-04 13:49 by ССÊ÷2024
[¿¼ÑÐ] 26µ÷¼Á 086003 +6 ʧ»îµÄϸ°û 2026-04-04 6/300 2026-04-04 09:50 by zhangdingwa
[¿¼ÑÐ] һ־Ը˫·Ç085502£¬267·Ö£¬¹ýËļ¶Çóµ÷¼Á +3 ÔÙæҲҪ³Ô·¹°¡ 2026-04-03 3/150 2026-04-04 05:03 by gswylq
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸±±Àí325·ÖÇóµ÷¼Á +6 ÕÒµ÷¼Á£¬£¬ 2026-04-02 6/300 2026-04-03 22:20 by –¹Æ?
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +4 ÍÃͻͻͻ£¬ 2026-04-02 5/250 2026-04-02 21:16 by ÍÃͻͻͻ£¬
[¿¼ÑÐ] 279Çóµ÷¼Á +6 ѧ¶øË¼ÙâÖª 2026-04-01 6/300 2026-04-02 09:16 by vgtyfty
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û