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gulubaozi

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gulubaozi

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ÒýÓûØÌû:
2Â¥: Originally posted by abinitio at 2015-06-09 07:50:39
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create_box N region-ID keyword value ...
N = # of atom types to use in this simulation
3Â¥2015-06-09 08:23:00
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abinitio

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2Â¥2015-06-09 07:50:39
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abinitio

°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by gulubaozi at 2015-06-09 08:23:00
±ÈÈçcreate_boxÃüÁîÀï
create_box N region-ID keyword value ...
N = # of atom types to use in this simulation...

Èç¹ûÊÇ2Ôª£¬ÄǾÍcreate_box 2 box ѽ
4Â¥2015-06-09 08:39:02
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gulubaozi

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by abinitio at 2015-06-09 08:39:02
Èç¹ûÊÇ2Ôª£¬ÄǾÍcreate_box 2 box ѽ...

create_box         2        mix
lattice                fcc        3.49174763
create_atoms        1        region        fcc_Fe
lattice                bcc        2.851000
create_atoms         2        region        bcc_Fe

ÄÇÎÒÓÃÉÏÃæµÄÃüÁ×îÖյõ½µÄÌåϵ region fcc_Fe ºÍ bcc_Fe ÖÐµÄ atom type Ò»ÑùÂð£¿
5Â¥2015-06-09 08:43:46
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