±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 831  |  »Ø¸´: 6
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß li_yi_2004 µÄ 5 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

li_yi_2004

гæ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿Gaussian03ÈçºÎÅú´¦Àí

ÇóÖú£ºGaussian03ÈçºÎ½øÐÐÅú´¦Àí£¬¼´Ò»¸ö»¯ºÏÎïÒ»¸ö»¯ºÏÎïÁ¬Ðø×żÆË㣬Çë´óϺָ½Ì¡£
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
loovfnd(½ð±Ò+1,VIP+0):лл 10-18 21:45
http://muchong.com/bbs/viewthread.php?tid=1566146

£¨1.6£©
GaussianÈçºÎʵÏÖÅú´¦Àí£¿


  Quote:
ÔÝʱµÄ×î¼Ñ´ð°¸£¨ÌṩÕߣºÃܶȷºº¯¡¤Ð¡×䣩
Èç¹ûÄãÓÐÈý¸öÎļþ·Ö±ð½øÐмÆËã
ÒýÓûØÌû:
ÕâÈý¸öÎļþ½Ð×öa.gjf,b.gjfºÍc.gjf
ÄÇô¿ÉÒÔ½øÐеÄÅú´¦Àí·½·¨ÊÇ£º
[quote]
1)LinuxÏÂ
дһ¸öÎļþx.in,ÄÚÈÝÈçÏÂ
==Îļþ¿ªÊ¼==
nohup g03 a.gjf a.log &
wait
nohup g03 b.gjf b.log &
wait
nohup g03 c.gjf c.log &
==Îļþ½áÊø==
È»ºóÌá½»Õâ¸öÎļþ£¬ÃüÁîΪsh x.in &

2)WindowÏÂ
дһ¸öÎļþx.bcf,ÄÚÈÝÈçÏÂ
==Îļþ¿ªÊ¼==
!start=1
a.gjf , a.out
b.gjf , b.out
c.gjf , c.out
==Îļþ½áÊø==
È»ºóÓÃG03ÔËÐÐÕâ¸öÎļþ

3)LinuxºÍWindowsͨÓÃ
°ÑÈý¸ögjfÎļþд³ÉÒ»¸ögjf£¬ÄÚÈÝÈçÏÂ
==Îļþ¿ªÊ¼==
a.gjfµÄÈ«²¿ÄÚÈÝ£¨Ô­·â²»¶¯ÕÕ³­£©
£¨¿ÕÐУ©
--link1--
b.gjfµÄÈ«²¿ÄÚÈÝ£¨Ô­·â²»¶¯ÕÕ³­£©
£¨¿ÕÐУ©
--link1--
c.gjfµÄÈ«²¿ÄÚÈÝ£¨Ô­·â²»¶¯ÕÕ³­£©
==Îļþ½áÊø==

[/quote]

[ Last edited by yjcmwgk on 2009-10-19 at 11:39 ]
4Â¥2009-10-18 13:27:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

mengfc

½ð³æ (ÕýʽдÊÖ)

×Ô¼ºÕÒÕÒ°É£¬ÄǸöFAQÀïÒ²ÓÐ
2Â¥2009-10-18 10:42:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

°ëÖ§ÑÌ5591

Òø³æ (ÕýʽдÊÖ)

ר¼Ò


¡ï
yjcmwgk(½ð±Ò+1,VIP+0): 10-18 13:26
windowsϸß˹½çÃæ´ò¿ª£¬¹¤¾ßÀ¸´Ó×óÊýµÚÁù¸ö°´Å¥£¬ADD£¬È»ºó±£´æ£¬Éú³ÉbcfÅú´¦Àí£¡
3Â¥2009-10-18 12:59:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuy069

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
loovfnd(½ð±Ò+1,VIP+0):xx 10-18 21:44
g03ÔÚLinuxÏÂÖ´ÐÐ
ÏÈдһ¸ö½Å±¾Îļþ£¬±ÈÈçbchÎļþ
Èç¹ûÓÐ3¸öÎļþ£º1.gjf  2.gjf  3.gjf
bchÎļþÄÚÈÝÈçÏ£º
g03 <1.gjf> 1.out
g03 <2.gjf> 2.out
g03 <3.gjf> 3.out
×¼±¸ºÃ½Å±¾Îļþºó£¬ÐèÓÿÉÖ´ÐиÃÎļþ
chmod +x bch
./ bch &
5Â¥2009-10-18 19:22:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 329Çóµ÷¼Á +16 miaodesi 2026-04-02 19/950 2026-04-05 13:11 by gaoxiaoniuma
[¿¼ÑÐ] »¯Ñ§357·Ö£¬¿¼Ñе÷¼Á +10 .Starry. 2026-04-04 11/550 2026-04-05 10:57 by cql1109
[¿¼ÑÐ] 341Çóµ÷¼Á +3 ѧÎÞÖ¹¾³£¬³å 2026-04-05 3/150 2026-04-05 09:40 by lbsjt
[¿¼ÑÐ] Çó +5 »¯¹¤×¨Ë¶323·Ö 2026-04-04 5/250 2026-04-05 08:02 by 544594351
[¿¼ÑÐ] 280Çóµ÷¼Á +3 Àîrien 2026-04-04 3/150 2026-04-04 23:32 by lqwchd
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +4 zhouzhen654 2026-04-03 4/200 2026-04-04 18:10 by Öí»á·É
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +9 hanamiko 2026-03-30 9/450 2026-04-04 11:04 by Öí»á·É
[¿¼ÑÐ] 350Ò»Ö¾Ô¸±±¾©º½¿Õº½Ìì´óѧ08500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +5 kjnasfss 2026-04-03 5/250 2026-04-03 22:29 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 334Çóµ÷¼Á +9 Trying] 2026-03-31 9/450 2026-04-03 15:18 by ×ÁçíØ¼
[¿¼ÑÐ] 085801 ×Ü·Ö275 ±¾¿ÆÐÂÄÜÔ´ Çóµ÷¼Á +19 bradoner 2026-04-01 23/1150 2026-04-03 10:07 by linyelide
[¿¼ÑÐ] 085600 295·ÖÇóµ÷¼Á +19 W55j 2026-03-30 23/1150 2026-04-03 09:53 by ǧǧÔËÆø
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +4 Ò»ÑùYWY 2026-04-03 4/200 2026-04-03 09:48 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-03-31 7/350 2026-04-02 23:16 by JourneyLucky
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +4 ÍÃͻͻͻ£¬ 2026-04-02 5/250 2026-04-02 21:16 by ÍÃͻͻͻ£¬
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-04-01 6/300 2026-04-02 15:49 by liumengping
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] 085600 Ò»Ö¾Ô¸9 ×Ü·Ö351 Çóµ÷¼ÁѧУ +7 czhcz 2026-03-31 9/450 2026-04-01 19:24 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ó¢Ò»ÊýÒ»×Ü·Ö334Çóµ÷¼Á +4 ³ÂÑôÀ¤ 2026-03-31 4/200 2026-03-31 14:22 by ¼Çʱ¾2026
[¿¼²©] ²ÄÁÏרҵÉ격 +5 ¶ÅÓêæÃdyt 2026-03-29 5/250 2026-03-31 11:19 by oooqiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û