Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1574  |  »Ø¸´: 10

nnipp

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] Çó.XYZ Îļþ»ñµÃÈÎÒâÔ­×Ó¾àÀ빤¾ß

¸Õ¿ªÊ¼Ñ§Ï°·Ö×Ó¶¯Á¦Ñ§
ÈçºÎ´Ó.XYZ Îļþ»ñµÃÈÎÒâÔ­×Ó¾àÀë
¸÷λ´óÏÀÓÐÏֳɵÄС¹¤¾ßÂð£¿
±¯´ß£¬²»»á±à³Ì=¡£=¡°
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

¹¦²»Ìƾè
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qphll

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
Óù½£½­ºþ(½ð±Ò+2): лл 2011-11-16 16:53:27
ÓÃVMDÁ¿Ò»Ï¾ͺÃÁË.
Life, Love, Laugh.
2Â¥2011-11-16 13:25:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nnipp

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by qphll at 2011-11-16 13:25:00:
ÓÃVMDÁ¿Ò»Ï¾ͺÃÁË.

ÎÒÏë×÷ͼʱ¼ä-Ô­×Ó¼ä¾àÀë
VMD¿ÉÒÔÊä³öÿһ²½µÄ¾àÀëÂð£¿
»¹ÊǼ¸Íò²½Ã¿¸öͼ¶¼Á¿Ò»Ï£¿
¹¦²»Ìƾè
3Â¥2011-11-16 16:48:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yyuan8658

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
zh1987hs(½ð±Ò+1): лл 2011-11-17 13:20:34
Èç¹ûÄãÓõÄÊÇamberµÄ»°£¬ÓÐptrajÃüÁîÓÃÀ´²âÁ¿µÄ¡£
ÆäËüÈí¼þÎÒ²»ÊìϤ£¬Ã²ËÆÒ²Ó¦¸Ã»áÓеġ£
4Â¥2011-11-17 09:00:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nnipp

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by yyuan8658 at 2011-11-17 09:00:32:
Èç¹ûÄãÓõÄÊÇamberµÄ»°£¬ÓÐptrajÃüÁîÓÃÀ´²âÁ¿µÄ¡£
ÆäËüÈí¼þÎÒ²»ÊìϤ£¬Ã²ËÆÒ²Ó¦¸Ã»áÓеġ£

amber ¿ÉÒÔÓà ptrajÃüÁî×Ô¶¯²âÁ¿²¢Êä³öÁ½Ô­×ÓÖ®¼ä¾àÀëÂð£¿
CPMD»òÕßCP2KµÄ.xyzÎļþ¿ÉÒÔÖ±½Ó¶ÁÈ¡Â𣿷dz£¸Ðл£¡
¹¦²»Ìƾè
5Â¥2011-11-17 21:38:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qphll

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
ghcacj(½ð±Ò+2): лл 2011-11-19 11:27:37
ÒýÓûØÌû:
5Â¥: Originally posted by nnipp at 2011-11-17 21:38:28:
amber ¿ÉÒÔÓà ptrajÃüÁî×Ô¶¯²âÁ¿²¢Êä³öÁ½Ô­×ÓÖ®¼ä¾àÀëÂð£¿
CPMD»òÕßCP2KµÄ.xyzÎļþ¿ÉÒÔÖ±½Ó¶ÁÈ¡Â𣿷dz£¸Ðл£¡

²»¹ÜÕâÊDz»ÊÇÄãµÄ¿ÎÌâµÄÖ÷Ìå,¡¡ÎÒ¾õµÃÄ㻹ÊÇҪдһ¸öС³ÌÐòÀ´ÊµÏÖÕâ¸ö.
Life, Love, Laugh.
6Â¥2011-11-18 06:36:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nnipp

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
6Â¥: Originally posted by qphll at 2011-11-18 06:36:12:
²»¹ÜÕâÊDz»ÊÇÄãµÄ¿ÎÌâµÄÖ÷Ìå,¡¡ÎÒ¾õµÃÄ㻹ÊÇҪдһ¸öС³ÌÐòÀ´ÊµÏÖÕâ¸ö.

ËäÈ»ÊǸöС³ÌÐò
¶ÔÓÚ²»»á±à³ÌµÄ»¹ÕæÊÇ¡°ÐÄÓÐÓàÁ¦²»×㡱
°¦~ÄѵÀ±ØÐëÒª´Ó±à³ÌѧÆð
·ÂþÂþÆäÐÞÔ¶Ùâ
¹¦²»Ìƾè
7Â¥2011-11-18 23:25:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

q1036210267

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
ghcacj(½ð±Ò+3): лл 2011-11-19 11:27:48
nnipp(½ð±Ò+10): лл ÓÃʲôÃüÁî¿ÉÒÔ¶Áȡÿһ²½×ø±ê ²¢¼ÆËãÖ¸¶¨Ä³Á½¸öÔ­×Óÿһ²½µÄ¾àÀëÄØ 2011-11-20 18:11:58
ÓÃfortran ºÜ¼òµ¥µÄ±à³Ì£¬ ¾ÍÊÇÏ顄 xyz Îļþ¶ÁÈë,
ÀýÈçÓÐÁ½¸öÔ­×Ó×ø±ê·Ö±ðΪ£¨x1, y1, z1£©ºÍ (x2, y2, z2)
ÓÃd = sqrt ( £¨x1- x2£©**2 + (y1-y2)**2 + (z1-z2)**2 )£¬Ò²¾ÍÊÇÊýѧÉϼÆËãÈýά¿Õ¼äÉÏÁ½¸ö µãÖ®¼äµÄ¾àÀë £ºsqrt ÊǸùºÅµÄÒâ˼¡£
Éú»îÖмá³Ö¿ìÀÖµÄÔ­Ôò²»¸Ä±ä£¬Ñ§Ï°¹¤×÷ÖÐ̤ʵÉϽø£¡`~`
8Â¥2011-11-19 08:52:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nnipp

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
8Â¥: Originally posted by q1036210267 at 2011-11-19 08:52:57:
ÓÃfortran ºÜ¼òµ¥µÄ±à³Ì£¬ ¾ÍÊÇÏ顄 xyz Îļþ¶ÁÈë,
ÀýÈçÓÐÁ½¸öÔ­×Ó×ø±ê·Ö±ðΪ£¨x1, y1, z1£©ºÍ (x2, y2, z2)
ÓÃd = sqrt ( £¨x1- x2£©**2 + (y1-y2)**2 + (z1-z2)**2 )£¬Ò²¾ÍÊÇÊýѧÉϼÆËãÈýά¿Õ¼äÉÏÁ½¸ö µãÖ®¼ä ...

·Ç³£¸Ðл£¡
ÄÇÎÒ¾ÍÑо¿Ñо¿±àÒ»¸ö¡£
¹¦²»Ìƾè
9Â¥2011-11-20 18:06:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

q1036210267

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï ¡ï
ghcacj(½ð±Ò+4): лл 2011-11-21 13:02:16
ÒýÓûØÌû:
9Â¥: Originally posted by nnipp at 2011-11-20 18:06:40:
·Ç³£¸Ðл£¡
ÄÇÎÒ¾ÍÑо¿Ñо¿±àÒ»¸ö¡£

Ê×Ïȶ¨Ò壺ÄãÒª²Ù×÷µÄÎļþÃûΪ 1
open£¨1£¬file = ÄãµÄÎļþÃû+¸ñʽÃû£©
È»ºó¶ÁÈ¡Êý¾Ý£º read£¨1£¬*£©
È»ºó¶ÔÊý¾Ý½øÐÐ ²Ù×÷¡£  

ÕâÖмäÎÒÊ¡ÂÔÁ˺ܶಽÖ裬Äã¿´ÏÂFortran Ê飬¾Í¿ÉÒÔÇó³ö¾àÀëÁË¡£

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

Éú»îÖмá³Ö¿ìÀÖµÄÔ­Ôò²»¸Ä±ä£¬Ñ§Ï°¹¤×÷ÖÐ̤ʵÉϽø£¡`~`
10Â¥2011-11-20 22:29:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ nnipp µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 285Çóµ÷¼Á +20 ŶßϺôo 2026-04-04 20/1000 2026-04-08 22:23 by yutian743
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 Ò»ÑùYWY 2026-04-02 14/700 2026-04-08 21:55 by hypershenger
[¿¼ÑÐ] 296Çóµ÷¼Á +6 Íô£¡£¿£¡ 2026-04-08 6/300 2026-04-08 21:38 by ÖìÔÆ»¢202
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á×Ü·Ö280 +30 mkjlz1 2026-04-06 35/1750 2026-04-08 21:25 by cyh¡ª315
[¿¼ÑÐ] Çóµ÷¼Á£¬262»úеר˶ +4 àÅyyl 2026-04-08 4/200 2026-04-08 16:12 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬³õÊÔ329£¬Çó»·¾³¿ÆÑ§Ó빤³Ìµ÷¼Á£¡ +11 ÓàδÐÁ 2026-04-06 11/550 2026-04-08 15:21 by screening
[¿¼ÑÐ] 071000ÉúÎïѧ£¬Ò»Ö¾Ô¸ÉîÛÚ´óѧ296·Ö£¬Çóµ÷¼Á +12 TIckLw 2026-04-06 13/650 2026-04-07 20:34 by lijunpoly
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +18 °¬Ö¾ºã 2026-04-03 19/950 2026-04-07 16:00 by Æð·ÉµÄ±ÈÐÜ1
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +17 СÁõͬѧ߹߹ 2026-04-06 18/900 2026-04-07 11:41 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] 085100½¨Öþѧ ѰÇó¿çרҵµ÷¼Á Ò»Ö¾Ô¸ÄÏ´ó294·Ö У¼¶Ê¡¼¶¹ú¼Ò¼¶½±ÏîÈô¸É ̤ʵ¿Ï¸É +3 1021075758 2026-04-06 4/200 2026-04-07 09:23 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁϹ¤³Ì310ר˶µ÷¼Á +14 ÀÌÀÌÎÒ¡­. 2026-04-04 15/750 2026-04-06 14:18 by lqwchd
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÖÕ²»ËÆ´Óǰ 2026-04-05 3/150 2026-04-05 20:07 by à£à£à£0119
[¿¼ÑÐ] 329Çóµ÷¼Á +17 miaodesi 2026-04-02 20/1000 2026-04-05 18:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ²ÄÁÏ383Çóµ÷¼Á +5 ¹ùÑôÑôÑô³É 2026-04-04 5/250 2026-04-04 19:06 by dongzh2009
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 322Çóµ÷¼Á +6 FZAC123 2026-04-03 6/300 2026-04-03 22:23 by ¿ÆÑÐСר¼Ò
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖйúʯÓÍ´óѧ»¯Ñ§¹¤³Ì323·ÖÇóµ÷¼Á +4 »¯¹¤×¨Ë¶323·Ö 2026-04-03 6/300 2026-04-03 22:12 by dongzh2009
[¿¼ÑÐ] 285Çóµ÷¼Á +7 AZMK 2026-04-02 9/450 2026-04-03 11:12 by wanwan00
[¿¼ÑÐ] 260Çóµ÷¼Á +6 ÖìÜÆÁÕ 2026-04-02 6/300 2026-04-02 20:27 by 6781022
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û