24小时热门版块排行榜    

Znn3bq.jpeg
申请当版主 | 存档区 |应助排行|模拟EPI排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 分子模拟 » LAMMPS/DL_POLY 订阅

管理团队 (金币库 69412.2 充值 )

主管区长：
月只蓝小红豆
主管版主：
abinitio沙漠猎人

杰出贡献者

专家顾问：
pigrassoxox6085lsloneilbrucefanjerkwin
荣誉版主：
wuli8lei0736nono2009fegg7502ghcacjzzy870720zuuv2010御剑江湖yjcmwgkjiaoyixiongcenwanglaiben_ladengljw4010
荣誉成员：
余泽成
390737/40首页上一页353637383940下一页
全部 专家会诊 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 山东高校教师考核超级无底线，员工过不下去啦 qut2026 2026-04-12 刚刚
[LAMMPS/ ] dump 没有输出 (4/722) lbbz323 2011-12-19 2011-12-20 17:03:44 by lbbz323
[LAMMPS/ ] [已完结]analytical bond-order interatomic potential (0/506) wangyujia 2011-12-20 2011-12-20 10:23:38 by wangyujia
[LAMMPS/ ] [已完结]我这样运行LAMMPS软件中自带的例子有错误吗？ (6/2630) xiexiaojiang 2011-12-05 2011-12-16 14:43:37 by niliu
[LAMMPS/ ] [已完结]DL_Poly中控温控压算法中的迭代问题 (0/248) Jianyi_Liu 2011-12-15 2011-12-15 15:29:50 by Jianyi_Liu
[LAMMPS/ ] 大家帮我看下下面的程序能不能实现系统的升温 (3/693) hxm1989 2011-12-06 2011-12-14 20:45:33 by lijun_255001
[LAMMPS/ ] 非刚性压头控制及力的提取 (0/453) lijun_255001 2011-12-14 2011-12-14 20:07:29 by lijun_255001
[LAMMPS/ ] 【求助】帮忙看一下DL_poly的错误是什么原因导致的 (3/1665) dfjk-123 2011-02-23 2011-12-11 20:52:01 by beckham7qf
[LAMMPS/ ] ERROR:Illegal mass command 和 Incorrect atgs for pair coefficients (0/401) zpl1986 2011-12-07 2011-12-07 16:12:23 by zpl1986
[LAMMPS/ ] [已完结]急求一篇含有s-w势函数或者是t-b势函数的文献 (0/247) 好一颗大头菜 2011-12-07 2011-12-07 14:41:52 by 好一颗大头菜
[LAMMPS/ ] [已完结]用DL_POLY模拟水分子在金属表面的吸附，一团水分子都延着真空层跑到很远 (1/986) voleyes 2011-12-05 2011-12-06 09:16:16 by chaizhm
[LAMMPS/ ] [已完结]npt系综 (0/423) luxiuming 2011-12-05 2011-12-05 16:59:18 by luxiuming
[LAMMPS/ ] [已完结]金属Pt和C，O，H，原子的之间的相互作用用什么势来描述？ (4/2062) voleyes 2011-12-02 2011-12-05 11:59:13 by valenhou001
[LAMMPS/ ] [已完结]怎么把Lammps软件自带的例子导入Lammps软件中去？ (2/1073) xiexiaojiang 2011-12-02 2011-12-05 09:51:48 by chaizhm
[LAMMPS/ ] fix ave/spatial density/mass (1/937) lijun_255001 2011-11-26 2011-12-04 09:42:59 by xunbao15
[LAMMPS/ ] [已完结][关贴]请教lammps安装问题。 (0/448) 李学忠 2011-12-02 2011-12-02 12:42:47 by 李学忠
[LAMMPS/ ] [已完结]重装lammps出现问题。 (2/517) mooninsky 2011-11-27 2011-12-02 09:44:53 by mooninsky
[LAMMPS/ ] [已完结]求助 (0/183) luxiuming 2011-11-30 2011-11-30 15:38:07 by luxiuming
[LAMMPS/ ] 【求助】急！急！安装VMD成功后，无法启动 (8/1885) amynihao 2011-03-22 2011-11-30 10:17:26 by mooninsky
[LAMMPS/ ] [已完结][关贴]在LAMMPS中怎么建立图示的模型 (6/2782) Tower.Tsu 2011-09-15 2011-11-29 17:02:35 by Tower.Tsu
[LAMMPS/ ] [已完结]在模拟金属表面吸附时，如果把金属固定住，那还需要对金属用多体势吗？ (4/1313) voleyes 2011-11-26 2011-11-29 07:45:50 by gulin98
[LAMMPS/ ] Polystyrene在不同温度下的弛豫 (0/529) zhjj505 2011-11-26 2011-11-26 15:31:18 by zhjj505
[LAMMPS/ ] [已完结]温度越高晶格常数却越低，是怎么回事？ (1/1951) dingfengbo 2011-11-04 2011-11-24 18:45:30 by huai
[LAMMPS/ ] [已完结]DL_POLY4的编译问题 (2/614) Jianyi_Liu 2011-10-11 2011-11-23 20:37:49 by shzhu
[LAMMPS/ ] [已完结]DLPOLY进行NVE MD模拟的时候，总能量随着时间推移逐渐下降可能是什么原因呢？ (0/702) tonywong 2011-11-18 2011-11-18 03:04:21 by tonywong
[LAMMPS/ ] 【求助】有人用dl_poly计算过solvation free energy吗？请教几个问题。。    ( 1 2 ) (评阅+1) (10/1803) tpp001 2011-01-08 2011-11-10 10:26:23 by tangdai
[LAMMPS/ ] [已完结]如何计算熔点 (2/2262) fengshiquan 2011-11-09 2011-11-10 09:45:00 by zhangdy
[LAMMPS/ ] [已完结]lammps 编译meam和poems出错 (0/421) chuchengbiao 2011-11-06 2011-11-06 10:19:37 by chuchengbiao
[LAMMPS/ ] [已完结]LAMMPS 中 Berendsen 控制温度 Tdamp 的含义 (0/2413) xxh418 2011-11-06 2011-11-06 04:36:26 by xxh418
[LAMMPS/ ] 【求助】用分子动力学观点分析 晶体熔化为何除保持一定温度外还需提供一定热量？ (评阅+1) (6/1400) 348272083 2010-09-10 2011-11-05 09:53:28 by 木愚
[LAMMPS/ ] [已完结]如何拉动一个原子沿着z方向匀速运动？ (2/878) apple_gao 2011-04-28 2011-11-05 09:44:42 by 木愚
[LAMMPS/ ] [已完结]求助lammps 中 “”character (1/444) lbh_xt 2011-11-03 2011-11-04 15:25:43 by mooninsky
[LAMMPS/ ] 电子激发 (3/491) fengshiquan 2011-10-28 2011-10-29 01:20:45 by ChemiAndy
[LAMMPS/ ] 建模中的原子距离太近，处理距离太近的原子的临界距离怎么确定？？？ (1/894) xiaorongwei 2011-10-26 2011-10-28 15:44:29 by wuyuxiah
[LAMMPS/ ] 薄膜在lammps条件下的谐振 (5/1737) mengwuyu 2011-10-25 2011-10-27 17:35:13 by dld123
[LAMMPS/ ] [已完结][关贴]怎么提取一点应力 (0/222) xdr 2011-10-24 2011-10-24 20:17:10 by xdr
[LAMMPS/ ] [已完结]请教关于materials studio建模和OPLS力场 (7/4324) ydxia 2011-10-21 2011-10-22 19:25:44 by 043114076
[LAMMPS/ ] [已完结]nvt系综，系统总能量震荡厉害 (9/3329) ydxia 2011-10-18 2011-10-21 11:13:14 by dinghuachen
[LAMMPS/ ] [已完结][关贴]indent的参数该如何设定 (0/577) shrekren 2011-10-18 2011-10-18 23:46:40 by shrekren
[LAMMPS/ ] [已完结]lammps 可以做车削加工吗？ (5/1076) ghjfly 2011-07-06 2011-10-12 15:13:23 by 一帆2011
[LAMMPS/ ] [已完结]求助表面吸附原子扩散 (1/621) 上官七七 2011-10-11 2011-10-11 12:25:23 by winterz
[LAMMPS/ ] LAMMPS中非周期性边界条件 (0/499) xiaorongwei 2011-09-30 2011-09-30 14:08:56 by xiaorongwei
[LAMMPS/ ] [已完结]pair_style SW势函数必须要自己拟合吗？有没有现成的？ (1/665) mooninsky 2011-09-28 2011-09-29 20:50:12 by w76990480
[LAMMPS/ ] [已完结]lammps得到如图g(r)，为什么峰会劈裂？ (0/613) wusongz 2011-09-26 2011-09-26 14:15:10 by wusongz
[LAMMPS/ ] [专家] [已完结]dlpoly2中CONFIG文件格式问题 (0/429) oxox6085 2011-09-23 2011-09-23 22:10:02 by oxox6085
[LAMMPS/ ] [已完结]如何指定lammps中的无量纲单位 (2/1138) weizhiyong 2011-09-06 2011-09-22 14:21:42 by weizhiyong
[LAMMPS/ ] [已完结]如何仅仅加热系统中 某一个方向的温度 (1/383) sdzjc1988 2011-09-16 2011-09-22 02:27:38 by sdzjc1988
[LAMMPS/ ] 【讨论】用fortran 编写分子动力学程序，仿真气体分子团簇结构？ (2/784) yangbob 2011-01-26 2011-09-22 01:23:03 by utdwang
[LAMMPS/ ] [已完结]关于lammps运行后log文件的几个参数的意义 (1/1570) shenfeng1023 2011-07-30 2011-09-20 09:52:32 by wang06x
[LAMMPS/ ] [已完结][关贴]data文件里面需要写些啥内容 (3/478) Tower.Tsu 2011-09-15 2011-09-16 00:13:19 by Tower.Tsu
[LAMMPS/ ] 平衡分子动力学与非平衡分子动力学 (1/1647) lhllookatme 2011-09-15 2011-09-15 20:23:42 by wang06x
[LAMMPS/ ] 校正扩散系数及传递扩散系数 (0/959) xiaoyuanlong 2011-09-13 2011-09-13 13:57:07 by xiaoyuanlong
[LAMMPS/ ] [关贴]lammps中有关brenner势函数的问题 (1/1028) xuri984105 2011-08-11 2011-09-01 16:25:27 by xieluxielu
[LAMMPS/ ] [已完结]Monte Carlo simulations of liquid alkyl ethers with the OPLS potential functions (2/411) coffee 2011-08-29 2011-08-30 11:10:49 by 5432love
[LAMMPS/ ] 安装包 (0/246) 5432love 2011-08-30 2011-08-30 09:01:19 by 5432love
[LAMMPS/ ] [已完结]MS生成.mol文件时遇到的问题 (1/782) 高学剑 2011-04-21 2011-08-26 19:27:48 by xiaoyuanlong
[LAMMPS/ ] [已完结]求助高手看看这个DL_POLY的FIELD文件有什么问题    ( 1 2 ) (评阅+1) (11/1743) feverforce 2011-05-26 2011-08-26 19:12:26 by xiaoyuanlong
[LAMMPS/ ] [已完结][关贴]用DL-POLY模拟水合物生成 (2/826) 高学剑 2011-05-16 2011-08-25 11:51:41 by zyj8119
[LAMMPS/ ] [已完结]表面弛豫 (0/470) 上官七七 2011-08-24 2011-08-24 21:36:16 by 上官七七
[LAMMPS/ ] [已完结]用LJ模拟裂纹扩展，可是结果出来都是从加力的地方断。。。。求解决啊。。。。 (1/524) 527751273 2011-08-24 2011-08-24 21:24:09 by 527751273
[LAMMPS/ ] [已完结][关贴]win server 2003下lammps的并行安装问题 (0/1285) hedonistful 2011-08-22 2011-08-22 09:33:35 by hedonistful
[LAMMPS/ ] [已完结]lammps菜鸟，请问这是出的什么问题？ (0/258) 527751273 2011-08-19 2011-08-19 16:22:15 by 527751273
[LAMMPS/ ] [关贴]lmp_win_no-mpi.exe 不能运行in文件 (0/1033) lhllookatme 2011-08-14 2011-08-14 11:58:45 by lhllookatme
[LAMMPS/ ] 【求助】怎样用LAMMPS算声子谱与振动模式密度 (1/2772) michael_li 2011-03-28 2011-08-07 19:13:42 by lbh_xt
[LAMMPS/ ] s s p边界 原子数增多的问题 (5/1566) congmingbing 2011-06-15 2011-08-07 19:05:54 by lbh_xt
[LAMMPS/ ] 【求助】我自己用DLPOLY生成HISTORY怎么用VMD看不了，希望高手帮忙？ (评阅+1) (9/1412) zyj8119 2011-01-10 2011-07-19 11:19:31 by huanghl2010
[LAMMPS/ ] 【求助】dlpoly运算结果的数据信息 (评阅+1) (3/711) paladinlee 2010-09-30 2011-07-17 19:23:57 by w76990480
[LAMMPS/ ] [已完结]DL_POLY中rdf的参数设置 (2/478) 高学剑 2011-04-22 2011-07-17 08:30:41 by 高学剑
[LAMMPS/ ] DOPOLY算自扩散系数几个问题 (3/1103) huanghl2010 2011-07-15 2011-07-16 16:09:10 by huanghl2010
[LAMMPS/ ] 【求助】dlpoly能引入外加力场吗？ (2/671) paladinlee 2010-12-24 2011-07-15 20:45:20 by huanghl2010
[LAMMPS/ ] 【求助】请问如何用均方位移（MSD）求扩散系数？？？急 (3/4763) 飘6877 2011-03-23 2011-07-15 20:31:31 by huanghl2010
[LAMMPS/ ] [已完结]有关用md做mofs材料吸附动力学的问题 (1/750) ldf831206 2011-04-19 2011-07-15 20:12:39 by huanghl2010
[LAMMPS/ ] 【求助】dlpoly运算中bond（化学键）的问题 (评阅+1) (4/1012) paladinlee 2010-09-11 2011-07-15 10:10:38 by huanghl2010
[LAMMPS/ ] [已完结]DL_POLY 计算 自扩散系数 (2/961) huanghl2010 2011-06-30 2011-07-13 14:28:04 by huanghl2010
[LAMMPS/ ] [已完结]dl_poly4的GUI的安装 (1/559) amynihao 2011-07-10 2011-07-11 15:31:34 by paladinlee
[LAMMPS/ ] [已完结]lammps 并行安装时,mpich怎么就是装不上去呢？ (0/765) ghjfly 2011-07-09 2011-07-09 08:50:49 by ghjfly
[LAMMPS/ ] [已完结]关于切应力的计算问题 (0/1919) mhansxxa 2011-07-08 2011-07-08 22:39:43 by mhansxxa
[LAMMPS/ ] 刚体体系的温度计算 (0/1184) kehan_1230 2011-07-08 2011-07-08 14:08:48 by kehan_1230
[LAMMPS/ ] fix_rigid 中的constant-energy integration (0/431) kehan_1230 2011-07-08 2011-07-08 14:07:55 by kehan_1230
[LAMMPS/ ] fix rigid 以及neigh_modify (0/2286) kehan_1230 2011-07-08 2011-07-08 14:07:08 by kehan_1230
[LAMMPS/ ] [已完结][关贴]mpich编译 (2/387) 李学忠 2011-07-07 2011-07-07 18:13:25 by 李学忠
[LAMMPS/ ] Lammps建立sigma 3 晶界 (0/2088) xiaorongwei 2011-07-06 2011-07-06 15:18:02 by xiaorongwei
[LAMMPS/ ] vmd如何将速度矢量显示出来？ (0/1133) zhangyanjenny 2011-07-05 2011-07-05 20:04:06 by zhangyanjenny
[LAMMPS/ ] [已完结]lammps中ewald/n的使用 (3/1076) chenai.com 2011-07-02 2011-07-04 08:30:52 by 老虎大王
[LAMMPS/ ] Lammps trajectory----use VMD to make molecules whole again (3/955) xk6891 2011-07-01 2011-07-02 07:01:07 by xiaowu759
[LAMMPS/ ] [已完结]求助一篇关于nvt 的文章。 (0/263) hyliao 2011-06-29 2011-06-29 21:41:22 by hyliao
[LAMMPS/ ] 【求助】lmp_doc答疑1 (3/717) peng.029 2011-03-10 2011-06-28 10:03:04 by hyliao
[LAMMPS/ ] [已完结]lammps（DPD） 如何编译密度分布函数 (金币≥100)(5/101) wangfeng0000 2011-06-20 2011-06-26 22:43:06 by issp-hao
[LAMMPS/ ] [已完结]lammps——fix gyration (0/567) kehan_1230 2011-06-23 2011-06-23 19:50:31 by kehan_1230
[LAMMPS/ ] [已完结]lammps 的系综选择 (0/1867) hyliao 2011-06-21 2011-06-21 10:28:36 by hyliao
[LAMMPS/ ] [已完结]LAMMPS编译 (2/770) zyx19840227 2011-06-20 2011-06-20 16:16:08 by Bessel
[LAMMPS/ ] [已完结]求助一软件 (0/276) 望月秦淮 2011-06-19 2011-06-19 10:38:42 by 望月秦淮
[LAMMPS/ ] [已完结]lammps 如何应用 Square-Well potential？ PS: 方井势 (0/719) jiangjian 2011-06-18 2011-06-18 20:36:16 by jiangjian
[LAMMPS/ ] 热流计算问题 (0/1236) congmingbing 2011-06-15 2011-06-15 17:26:00 by congmingbing
[LAMMPS/ ] [已完结]Lammps模拟热容量求导得势能 来求熔点 (0/725) hitfanglin 2011-06-14 2011-06-14 12:42:26 by hitfanglin
[LAMMPS/ ] [已完结]lammps做DPD模拟如何可视化？ (1/1145) issp-hao 2011-06-12 2011-06-12 17:23:11 by kehan_1230
[LAMMPS/ ] Sigma X晶界和lattice参数之间的关系 (0/903) xiaorongwei 2011-06-07 2011-06-07 09:16:33 by xiaorongwei
[LAMMPS/ ] [已完结]关于lammps中eam势的获取 (1/791) chenai.com 2011-06-06 2011-06-06 23:20:18 by xunbao15
[LAMMPS/ ] [已完结]lammps模拟溶化确定熔点问题 (2/1410) shugq_2009 2011-05-30 2011-06-05 22:47:39 by issp-hao
[LAMMPS/ ] fix ave/time能不能分步输出？能不能不输出到文件？ (评阅+1) (模拟EPI+1)(4/1874) zhangyanjenny 2011-06-01 2011-06-04 17:19:17 by 527751273
390737/40首页上一页353637383940下一页
相关版块跳转
查看