±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 12228  |  »Ø¸´: 35
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß abinitio µÄ 95 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

abinitio

°æÖ÷ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾Ë÷ÒýÌù¡¿Ò»¡¢Èí¼þ°²×°Æª(»¶Ó­ÌṩÓÐЧ×ÊÔ´)

Ϊ·½±ã³æÓѲéѯ£¬Ìá¸ß½»Á÷ЧÂÊ£¬ÎÒÏë×öһϵÁеÄË÷ÒýÌù£¬±¾ÌùÄÚÈݾùÀ´×ÔÍøÂçËÑË÷£¬ÈçÓаæÈ¨£¬ÊôÔ­×÷ÕßËùÓС£
±¾ÌùÖ÷ÒªµÄ×ÚÖ¼¾ÍÊÇÈÃһЩÀÁ³æ×ÓÃǸüÀÁһЩ¡£
»¶Ó­´ó¼Ò¸úÌùÌṩÄÚÈÝ£¬Ô­´´Ìù»òËûÈË·¢Ìù¾ù¿ÉÒÔ£¬Ò»µ«²ÉÓ㬽ð±Ò½±Àø¡£
           
------------------------------------------------------------------------------
Ò»¡¢lammps °²×°

          1¡¢linuxϰ²×°
          @msy123£ºUbubtu_14.04_°²×°lammps-1Nov13£¨´ømeam°ü£©³É¹¦Ç×²â°æ  
                          https://muchong.com/bbs/viewthread.php?tid=8288624&fpage=1&target=blank
           @amerigo6: ¡¾Ô­´´¡¿UbuntuϱàÒë²¢Ðа汾lammpsÒÔ¼°ÅäÖÃvmd       
                          https://muchong.com/bbs/viewthread.php?tid=1304030&fpage=2&target=blank
          @qphll :     ¡¾·ÖÏí¡¿Lammps °²×°, X64, PGI, MPICH, FFTW
                           https://muchong.com/bbs/viewthread.php?tid=2624040&fpage=2&target=blank
@Gaoxiguang Win7 64λϰ²×°LammpsºÍMPICHʵÏÖµ¥»ú²¢ÐмÆËã20150602£¨Ô­´´£© https://muchong.com/bbs/viewthread.php?tid=9010909

         2¡¢ windowsϰ²×°
           @LoogCat£ºwindowsÏÂÔËÐÐlammps·½·¨¡ª¡ªÐÂÊÖרÓÃ
                             https://muchong.com/bbs/viewthread.php?tid=7598790&fpage=2&target=blank
          @lhllookatme: windows°æLAMMPSµÄ°²×°ÓëÔËÐÐÏêϸ²½Öè
                             https://muchong.com/bbs/viewthread.php?tid=3485223&fpage=4&target=blank

¶þ¡¢CPMD °²×°
       @xk6891 :  ¡¾Ô­´´¡¿cpmd±àÒë³É¹¦
                          https://muchong.com/bbs/viewthread.php?tid=2325284&fpage=1&target=blank
       @ChemiAndy: °²×°Ìù£ºUbuntu 12.04(64) ²¢ÐбàÒëCPMD3.15.3
                                 https://muchong.com/bbs/viewthread.php?tid=4891650&fpage=1&target=blank
        @uuv2010: CPMDµÄ²¢Ðа汾°²×°Ô´ÂëÓë°²×°Á÷³Ì
                        https://muchong.com/bbs/viewthread.php?tid=6061478&fpage=1&target=blank

@yoghurt117£ºcpmd2cubeµÄ±àÒ뼰ʹÓÃ
https://muchong.com/bbs/viewthread.php?tid=8519125&fpage=1

Èý¡¢CP2K°²×°
         @ChemiAndy£ºUbuntu 12.10ÖеÄÁ¿×ÓÈí¼þ£¬cp2k²¢ÐаæµÄÒ»¼ü°²×°
                             https://muchong.com/bbs/viewthread.php?tid=4921418&fpage=1&target=blank

ËÄ¡¢VASP°²×°
       @txcokokok £ºvasp 5.2 °²×°¹ý³Ì (´®ÐÐ+²¢ÐУ©+(32λ+64λ) + ifort +intel MKL+ openmpi
                           https://muchong.com/bbs/viewthread.php?tid=7943283&fpage=1&target=blank
       @yysskk£º VASP5.2°²×°ÐĵÃ
              https://muchong.com/bbs/viewthread.php?tid=7370070

Îå¡¢GULP°²×°

[ Last edited by abinitio on 2015-6-3 at 07:53 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

·ÂÕæ½¨Ä£Óë¼ÆËã Materials StudioרÓà ·Ö×ÓÄ£Äâ ·Ö×Ó¶¯Á¦Ñ§
¸ÐÎòÈËÉú ÉúÎ﹤³Ì Èí¼þ Ä£ÄâÈí¼þ°²×°¾«»ªÌÔ
FORTRAN Computer-MS

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

809011916

Í­³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
±ØÐëÔÞ£¡£¡£¡´ó¼Ò»ðËÙ¶¥Æð°¡£¡£¡£¡
Ñ¡Ôñ×îϲ»¶µÄ£¬×¨×¢µ½ÎÞÇé¡£Ò»¸ö£¬¾Í¹»ÁË¡£
6Â¥2014-12-21 15:06:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 36 ¸ö»Ø´ð

µ«¶¡

ľ³æ (СÓÐÃûÆø)

¸£ÀûÌù°¡

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
2Â¥2014-12-20 00:00:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gaupay

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÇóCP2K²¢Ðа²×°

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
Godblessgoodman
3Â¥2014-12-20 00:50:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

abinitio

°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by gaupay at 2014-12-20 00:50:55
ÇóCP2K²¢Ðа²×°

ÂúÒâÁËÂð£¿
4Â¥2014-12-20 09:58:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§ +6 ÄÝÄÝninicgb 2026-03-27 6/300 2026-03-27 17:18 by shangxh
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +10 ÐÒÔ˵Ľ´½´ 2026-03-22 12/600 2026-03-27 16:08 by muchong357
[¿¼ÑÐ] 085701»·¾³¹¤³Ì£¬267Çóµ÷¼Á +9 minht 2026-03-26 9/450 2026-03-27 15:29 by licg0208
[¿¼ÑÐ] 303Çóµ÷¼Á +7 °²ÒäÁé 2026-03-22 8/400 2026-03-27 11:46 by sanrepian
[¿¼ÑÐ] 312Çóµ÷¼Á +9 Éϰ¶°ÉZJY 2026-03-22 13/650 2026-03-27 11:24 by sanrepian
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +16 ‹üÈA 2026-03-22 16/800 2026-03-27 11:23 by ÍõЦÓîÒ»¶¨ÊÇÑо
[¿¼ÑÐ] 359Çóµ÷¼Á +4 ÍõÁ˸öéª 2026-03-25 4/200 2026-03-27 08:43 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 317Çóµ÷¼Á +7 µ°»ÆÏÌÈâôÕ 2026-03-26 7/350 2026-03-27 02:29 by fmesaito
[¿¼ÑÐ] 279Çóµ÷¼Á +6 ºìÒÂÒþ¹Ù 2026-03-21 6/300 2026-03-26 18:32 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +11 ÃÔÈ˵Ĺþ¹þ 2026-03-23 11/550 2026-03-26 15:41 by zzll406
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ¹¤´ó 081700 276Çóµ÷¼Á +4 µØÇòÈÆ×ÅÌ«Ñôת 2026-03-23 4/200 2026-03-26 14:27 by zzll406
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£© +4 ÎÒ°®Ñ§µç³Ø 2026-03-23 4/200 2026-03-25 00:59 by 1027_324
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí085500»úеרҵ×Ü·Ö300Çóµ÷¼Á +3 an10101 2026-03-24 7/350 2026-03-25 00:00 by ɽ¹í0-
[¿¼ÑÐ] 306Çó0703µ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶ +10 Ö½Óãly 2026-03-21 11/550 2026-03-24 17:22 by qingfeng258
[¿¼ÑÐ] 085404µç×ÓÐÅÏ¢284·ÖÇóµ÷¼Á +4 13659058978 2026-03-24 4/200 2026-03-24 12:15 by syl20081243
[¿¼ÑÐ] Ò»Ö¾Ô¸ºÓ±±¹¤Òµ´óѧ0817»¯¹¤278·ÖÇóµ÷¼Á +7 jhybd 2026-03-23 12/600 2026-03-24 09:03 by jhybd
[¿¼ÑÐ] ÉúÎïѧһ־Ը985£¬·ÖÊý349Çóµ÷¼Á +6 zxts12 2026-03-21 9/450 2026-03-23 18:37 by macy2011
[¿¼ÑÐ] 070300£¬Ò»Ö¾Ô¸±±º½320Çóµ÷¼Á +3 Jerry0216 2026-03-22 5/250 2026-03-23 09:16 by ¡£¡£ÌÃÌÃ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û