| ²é¿´: 1588 | »Ø¸´: 10 | ||
| ¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û3´Î£¬×÷Õßtshi_04Ôö¼Ó½ð±Ò 2.2 ¸ö | ||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||
[×ÊÔ´]
GPView for visualization and analysis
|
||
|
ÎÒÃǸտª·¢ÁËÒ»¸öÓÃÓÚvisualizationºÍanalysisµÄÈí¼þGPView¡£ Ŀǰ°æ±¾ 1.1 °²×°Èí¼þºÍmanualÒѾ¾ÍÐ÷£¬ÕâÀïÊÇÁ´½Ó http://life-tp.com/gpview ¿ÉÒÔvisualizeµ¥¸ö·Ö×ӽṹ£¨GaussianÊä³öÎļþ£¬PDB£¬XYZ£© ¿ÉÒÔ¿´MDµÄtrajectory¡£ ¿ÉÒÔ¿´·Ö×Ó¹ìµÀºÍÃܶȡ£ ¿ÉÒÔ´òÓ¡¾ØÕóµÄ¶þάµÈ¸ßͼ¡£ ¿ÉÒÔ·ÖÎöTDDFT£¬RPA£¬CISµÈµÄÊä³ö½á¹û£¬Í¨¹ýFCHK£¬RWFdump£¬logÎļþ£¬¼ÆËãÊä³öcubeÎļþ£¨ÕâÀïGPViewÓÐ×Ô¼ºµÄ¼ÆËãÄ£¿é£¬²»ÐèÒªcubegen£©¡£¿ÉÒÔ¼ÆËãMO£¬Total density£¬NTO£¬NDO£¬Hole£particle density£¬detachment£attachment densityµÈµÈ¡£ ¿ÉÒÔͨ¹ýtransition density matrix¼ÆËãcharge transfer numbers£¬ÓÃÓÚ·ÖÎö¡£ Ŀǰ¿ÉÒÔÔÚwindowºÍmacÏÂÃæÕý³£Ê¹ÓᣠubuntuÏÂÃæ¿ÉÒÔʹÓ÷ÖÎö¹¦ÄÜ£¬¿ÉÊÓ»¯¹¦ÄÜ»¹ÓÐЩbug¡£ Ï£Íû¶Ô´ó¼ÒÓаïÖú¡£ [ Last edited by tshi_04 on 2016-2-6 at 21:16 ] Ŀǰ£¬windows °æ±¾¸üе½GPView 1.3£¬Ð¼ÓÁËbond order analysisÄ£¿é¡£ [ Last edited by tshi_04 on 2016-4-2 at 21:32 ] |
» ²ÂÄãϲ»¶
»¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á
ÒѾÓÐ17È˻ظ´
2026ºþ±±Ê¦·¶´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕÑо¿Éúµ÷¼Á
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ76È˻ظ´
26Äê²ÄÁÏ/»¯Ñ§Ïà¹Ø×¨Òµ²©Ê¿Ñо¿ÉúÕÐÉú ÎÂÖÝ´óѧ»¯Ñ§Óë²ÄÁϹ¤³ÌѧԺ(26ÄêÇï¼¾Èëѧ)
ÒѾÓÐ0È˻ظ´
0703µ÷¼Á
ÒѾÓÐ2È˻ظ´
2026Ä격ʿÑо¿ÉúÕÐÉú
ÒѾÓÐ1È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Î人·ÄÖ¯´óѧȫ¹úÖØµãʵÑéÊÒÑîÓ¦¿ü½ÌÊÚÍŶÓÄâÕÐ17-19λ˶²©Éú£¡
ÒѾÓÐ0È˻ظ´
²ÄÁÏÓ뻯¹¤×¨Ë¶½ÓÊÜ¿çרҵµ÷¼Á£¨ÖØÇìÊÐÊô¸ßУ£©
ÒѾÓÐ0È˻ظ´
Î人·ÄÖ¯´óѧȫ¹úÖØµãʵÑéÊÒÑîÓ¦¿ü½ÌÊÚÍŶÓÄâÕÐ17-19λ˶²©Éú£¡
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
10Â¥2016-01-25 21:38:58
2Â¥2016-01-23 07:31:57
3Â¥2016-01-23 12:29:24
4Â¥2016-01-23 15:06:15














»Ø¸´´ËÂ¥