| ²é¿´: 2213 | »Ø¸´: 10 | |||
vigaryangľ³æ (ÕýʽдÊÖ)
|
[½»Á÷]
¡¾ÌÖÂÛ¡¿Ïû³ýÐéÆµÊ±ÊDzÉÓÃscf=tight»¹ÊÇopt=tight£¿
|
||
| ÓÅ»¯Á½¸ö·Ö×ÓµÄÏ໥×÷Ó㬳öÏÖÒ»¸öÐ鯵£¨-7.2£©¡£¸ù¾Ý±¾ÂÛ̳µÄFAQ£¬ËƺõÓ¦¸ÃÊÇÒÔÉÏÊö´øÐ鯵µÄ¹¹ÐÍΪ³õʼ¹¹ÐÍ¡¢ÃüÁîÐÐÖмÓÈëSCF=tight¹Ø¼ü×Öºó¼ÌÐøÓÅ»¯¡£²»¹ýÎÒÔÚÍøÉÏ¿´µ½ÓÐÆäËûÈË˵Ӧ¸Ã¼ÓÈëOPT=tightÃüÁî¼ÌÐøÓÅ»¯¡£²»ÖªÕâÁ½ÖÖÇé¿öÊëÊÇÊë·Ç£¬ÒÖ»òÁ½Õß½Ô¿É£¿Èç¹û²ÉÓÃopt=tightµÄ»°£¬ÊÇ·ñÓ¦Èçgaussian 03ÊÖ²áÖÐËù˵һ¶¨ÒªÔÙ¼ÓÉÏInt=UltraFine¹Ø¼ü´Ê£¿Ð»Ð»¡£ |
» ²ÂÄãϲ»¶
ÉîÛÚÀí¹¤´óѧÕÐÆ¸AI4ScienceÓë·Ö×ÓÄ£Äâ·½Ïò¿ÆÑÐÈËÔ±
ÒѾÓÐ0È˻ظ´
È«½±²©Ê¿ Ó¢¹úÀûÎïÆÖ´óѧ ¡Á ̨ÍåÇ廪´óѧ ÁªºÏÅàÑø
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ245È˻ظ´
Ѱ²©µ¼
ÒѾÓÐ13È˻ظ´
»ù½ðÕýÎÄ30Ò³Ö¸µÄÊDZ¨¸æÕýÎÄ»¹ÊÇÕû¸öÉêÇëÊé
ÒѾÓÐ9È˻ظ´
¹þ¶û±õ¹¤Òµ´óѧ£¨ÉîÛÚ£©ÂÌÉ«»¯Ñ§ÍŶÓÕÐÊÕ2026ÄêÇï¼¾Èëѧ²©Ê¿Éú
ÒѾÓÐ11È˻ظ´
°Ä´óÀûÑÇÀ¥Ê¿À¼¿Æ¼¼´óѧPhD²©Ê¿½±Ñ§½ð
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ΪʲôÊÔ¼Á¼îÐÔÇ¿ÓÐÀûÓÚÏû³ý·´Ó¦½øÐУ¿
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿¸ß˹¼ÆËãÓÅ»¯Ê±optÓëopt=tight int=ultrafine Äĸö¸üºÃ£¿
ÒѾÓÐ3È˻ظ´
¡¾ÔÚÏß´ðÒÉ¡¿UCSF DOCK·Ö×Ó¶Ô½ÓºÍÐéÄâɸѡ
ÒѾÓÐ42È˻ظ´
userhung
½û³æ (ÎÄѧ̩¶·)
ľ³æ²©Ê¿
- Ó¦Öú: 1505 (½²Ê¦)
- ¹ó±ö: 1.347
- ½ð±Ò: 107941
- ºì»¨: 241
- ɳ·¢: 413
- Ìû×Ó: 122982
- ÔÚÏß: 4265.2Сʱ
- ³æºÅ: 119626
- ×¢²á: 2005-11-28
- רҵ: Á£×ÓÎïÀíѧºÍ³¡ÂÛ
¡ï
vigaryang(½ð±Ò+1):лл²ÎÓë
vigaryang(½ð±Ò+1):лл²ÎÓë
10Â¥2010-03-27 08:27:57
c111999
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 497.7
- ºì»¨: 1
- Ìû×Ó: 130
- ÔÚÏß: 25.7Сʱ
- ³æºÅ: 205020
- ×¢²á: 2006-03-03
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï ¡ï ¡ï ¡ï
vigaryang(½ð±Ò+1):лл²ÎÓë
yjcmwgk(½ð±Ò+3): 2010-03-12 13:24
vigaryang(½ð±Ò+1):лл²ÎÓë
yjcmwgk(½ð±Ò+3): 2010-03-12 13:24
|
ÎÒ¾õµÃÓ¦¸Ãopt=tgigjht ÄãÒ²¿ÉÒÔÔÚ¼ÓÉÏscf=tighth Õâ¸öÐ鯷¶à°ë¿ÉÒÔºöÂÔ ¼ÓultrafineÈç¹ûÄãÓÃÁËdft |
2Â¥2010-03-10 22:22:10
vigaryang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ½ð±Ò: 3466.3
- É¢½ð: 677
- ºì»¨: 6
- Ìû×Ó: 471
- ÔÚÏß: 495.7Сʱ
- ³æºÅ: 227097
- ×¢²á: 2006-03-23
- ÐÔ±ð: GG
- רҵ: Ó¦Óû¯Ñ§
3Â¥2010-03-10 22:41:07
c111999
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 497.7
- ºì»¨: 1
- Ìû×Ó: 130
- ÔÚÏß: 25.7Сʱ
- ³æºÅ: 205020
- ×¢²á: 2006-03-03
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï ¡ï
yjcmwgk(½ð±Ò+2): 2010-03-12 13:24
yjcmwgk(½ð±Ò+2): 2010-03-12 13:24
|
СÐ鯵¶ÔÓÚÏ໥×÷ÓõÄÓ°Ï죬ÎÒ²»ÖªµÀ¶à´ó£¬¹À¼Æ²»´ó¡£ ¹ý¶É̬ÐèÒªµÄÐ鯵 1Ó¦¸ÃÊÇÔÚÒª¶Ï¼ü/³É¼üµÄ·½ÏòÉϵÄÕ𶯠2Ó¦¸Ã±È½Ï´ó~¼¸°Ù²¨Êý 3¼¸Ê®~100£¬ÕùÈ¡¼õÉÙ£¬Èç¹ûÎÞ·¨Ïû¼õ¡ª¡ªÈç¹û²»ÔÚ1ÄÚ£¬Ôò¿ÉÒÔºöÂÔ¡£ 4ƽ¶¯×ª¶¯Ò²»á²úÉúÐ鯵£¬ºÜС¾ÍÊÇÁË£¬¿´logÎļþÖеġ°Low frequencies¡± [ Last edited by c111999 on 2010-3-10 at 22:57 ] |
4Â¥2010-03-10 22:48:20
vigaryang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ½ð±Ò: 3466.3
- É¢½ð: 677
- ºì»¨: 6
- Ìû×Ó: 471
- ÔÚÏß: 495.7Сʱ
- ³æºÅ: 227097
- ×¢²á: 2006-03-23
- ÐÔ±ð: GG
- רҵ: Ó¦Óû¯Ñ§
|
ÎÒµÄlogÎļþÈçÏ£º Low frequencies --- -11.9736 -10.4981 -6.7810 -0.0081 0.0114 0.0118 Low frequencies --- 8.6975 24.4838 34.1247 ËäÈ»ÕâÀïÓкü¸¸ºÊý£¬µ«ËæºóµÄƵÂÊÊä³ö½á¹ûÀïÖ»ÓÐÒ»¸ö: 1 2 3 A A A Frequencies -- -7.1160 24.0276 34.0197 Red. masses -- 4.1740 4.8112 4.9130 Frc consts -- 0.0001 0.0016 0.0034 IR Inten -- 1.0249 1.4418 2.4991 Õâ˵Ã÷ʲôÎÊÌâÄØ£¿ |
5Â¥2010-03-10 23:10:31
c111999
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 497.7
- ºì»¨: 1
- Ìû×Ó: 130
- ÔÚÏß: 25.7Сʱ
- ³æºÅ: 205020
- ×¢²á: 2006-03-03
- רҵ: ÀíÂۺͼÆË㻯ѧ
vigaryang(½ð±Ò+1): 2010-03-10 23:42
|
ƽ¶¯+ת¶¯Low frequencies --- -11.9736 -10.4981 -6.7810 -0.0081 0.0114 0.0118 ×îµÍÕð¶¯Low frequencies --- 8.6975 24.4838 34.1247 -7 ~ ƽ¶¯×ª¶¯µÄƵÂÊ£¬Òò´Ë¿ÉÒÔºöÂÔ Ææ¹ÖµÄÊÇFrequencies -- -7.1160 =£¡= 8.6975 ²»ÖªÊÇÈçºÎËãµÄ£¿ [ Last edited by c111999 on 2010-3-10 at 23:25 ] |
6Â¥2010-03-10 23:22:08
vigaryang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ½ð±Ò: 3466.3
- É¢½ð: 677
- ºì»¨: 6
- Ìû×Ó: 471
- ÔÚÏß: 495.7Сʱ
- ³æºÅ: 227097
- ×¢²á: 2006-03-23
- ÐÔ±ð: GG
- רҵ: Ó¦Óû¯Ñ§
7Â¥2010-03-10 23:44:07
467266420
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 6580.9
- É¢½ð: 732
- ºì»¨: 10
- Ìû×Ó: 1007
- ÔÚÏß: 340.7Сʱ
- ³æºÅ: 840764
- ×¢²á: 2009-09-05
- רҵ: ÄÜÔ´»¯¹¤
¡ï
vigaryang(½ð±Ò+1):лл²ÎÓë
vigaryang(½ð±Ò+1):лл²ÎÓë
|
ÎÞÂÛʲô·½·¨ÄÜÏûµôÐ鯵²ÅÊÇÍõµÀ£¬Ìṩһ¸öÏûÐ鯵µÄСÈí¼þhttp://muchong.com/bbs/viewthread.php?tid=1874636 ÀàËÆÓÚС×ä´óʦÔÚ±¾°æGaussianFAQÌáµ½µÄ×ø±êÖкϷ¨¡£ [ Last edited by yjcmwgk on 2010-3-14 at 12:14 ] |
8Â¥2010-03-12 19:21:02
vigaryang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 16 (СѧÉú)
- ½ð±Ò: 3466.3
- É¢½ð: 677
- ºì»¨: 6
- Ìû×Ó: 471
- ÔÚÏß: 495.7Сʱ
- ³æºÅ: 227097
- ×¢²á: 2006-03-23
- ÐÔ±ð: GG
- רҵ: Ó¦Óû¯Ñ§
9Â¥2010-03-12 22:48:26













»Ø¸´´ËÂ¥