{"id":158117,"date":"2018-11-04T16:45:56","date_gmt":"2018-11-04T08:45:56","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=158117"},"modified":"2018-11-16T15:50:05","modified_gmt":"2018-11-16T07:50:05","slug":"%e6%b7%b1%e5%85%a5%e6%8e%8c%e6%8f%a1lammp%e7%9a%84%e8%ae%a1%e7%ae%97%e5%92%8c%e5%88%86%e6%9e%90%e7%ba%bf%e4%b8%8a%e8%ae%ad%e7%bb%83%e8%90%a5%e5%bc%80%e8%ae%b2%ef%bc%81","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=158117","title":{"rendered":"\u8db3\u4e0d\u51fa\u6237\u6df1\u5165\u638c\u63e1lammps\u7684\u8ba1\u7b97\u548c\u5206\u6790 \u6750\u6599\u4eba\u8ba1\u7b97\u7ebf\u4e0a\u8bad\u7ec3\u8425\u5f00\u8bfe"},"content":{"rendered":"

\u66a8\u300a\u4e8c\u7ef4\u6750\u6599\u5206\u5b50\u52a8\u529b\u5b66\u7ebf\u4e0a\u8bad\u7ec3\u8425\u300b\u4e4b\u540e\uff0c\u6211\u4eec\u7b56\u5212\u4e86\u300a\u6df1\u5165\u638c\u63e1lammps\u7684\u8ba1\u7b97\u548c\u5206\u6790\u7ebf\u4e0a\u8bad\u7ec3\u8425\u300b\uff0c\u5177\u4f53\u7ec6\u8282\u5982\u4e0b\u3002<\/p>\n

\u8bad\u7ec3\u8425\u7b80\u4ecb<\/strong><\/p>\n

\u7ebf\u4e0a\u8bad\u7ec3\u8425\u7531\u7ebf\u4e0a\u5c0f\u73ed+\u4e13\u9898\u7814\u8ba8\u7ec4\u6210\u3002\u7ebf\u4e0a\u5c0f\u73ed\u6bcf\u671f20-30\u4eba\uff0c\u4e13\u9898\u7814\u8ba8\u4e0d\u9650\u4eba\u6570\u3002\u6bcf\u4f4d\u62a5\u540d\u53c2\u52a0\u7ebf\u4e0a\u8bad\u7ec3\u8425\u7684\u540c\u5b66\u53ef\u4ee5\u53c2\u52a0\u4e00\u6b21\u7ebf\u4e0a\u5c0f\u73ed\uff0c\u65e0\u9650\u6b21\u53c2\u52a0\u4e13\u9898\u7814\u8ba8\u3002\u800c\u4e14\uff0c\u6bcf\u671f\u7684\u7ebf\u4e0a\u5c0f\u73ed\u548c\u4e13\u9898\u7814\u8ba8\u5747\u63d0\u4f9b\u56de\u770b\u3002<\/p>\n

\u5f00\u73ed\u65f6\u95f4<\/strong><\/p>\n

11\u6708\u7ebf\u4e0a\u5c0f\u73ed\uff1a\u5317\u4eac\u65f6\u95f42018\u5e7411\u670820\u65e515:00-17:30\uff1b11\u670821\u65e515:00-17:30<\/p>\n

\u4e13\u9898\u4e00\u7814\u8ba8\uff1a\u5f85\u5b9a<\/p>\n

\u5f00\u8bfe\u76ee\u5f55<\/strong><\/p>\n

\u7ebf\u4e0a\u5c0f\u73ed<\/strong><\/p>\n

\u7b2c\u4e00\u65e5\u8bfe\u7a0b\u5185\u5bb9<\/p>\n

1. Linux\u9ad8\u6027\u80fd\u8ba1\u7b97\u5165\u95e8+\u8f6f\u4ef6\u5b89\u88c5<\/strong><\/p>\n

1.1 Linux\uff08CentOS\uff09\u7cfb\u7edf\u5b89\u88c5\uff08\u7269\u7406\u673a\u6216\u865a\u62df\u673a\uff09<\/p>\n

1.2 WinSCP, XShell\u8fdc\u7a0b\u8f6f\u4ef6\u5b89\u88c5\u914d\u7f6e\u8be6\u89e3<\/p>\n

1.3 Lammps\u7684Windows\u7248+Linux\u4e32\u884c\/\u5e76\u884c\u7248\u7f16\u8bd1\u5b89\u88c5<\/p>\n

1.4 \u5b9a\u5236Lammps\u683c\u5f0fNotepad++\u7f16\u8f91\u5668\uff08\u9ad8\u4eaelammps\u6587\u4ef6\u5173\u952e\u8bcd\uff0c\u8ba9lammps\u6587\u4ef6\u66f4\u6e05\u6670\u6613\u8bfb\uff09<\/p>\n

2. Lammps\u64cd\u4f5c\u57fa\u7840+\u547d\u4ee4\u8be6\u89e3<\/strong><\/p>\n

2.1 Lammps\u8ba1\u7b97\u6240\u9700\u8f93\u5165\/\u8f93\u51fa\u6587\u4ef6\u6784\u5efa\u548c\u8be6\u89e3\uff08in\u6587\u4ef6\uff0cdata\u6587\u4ef6\uff0clammpstrj \u6587\u4ef6\u7ed3\u6784\u53ca\u683c\u5f0f\uff09<\/p>\n

2.2 Lammps\u8ba1\u7b97\u6d41\u7a0b\u63a7\u5236\uff08\u5982\u4f55\u81ea\u7531\u5730\u9ad8\u5ea6\u81ea\u5b9a\u4e49\u8ba1\u7b97\u6d41\u7a0b\u53ca\u65bd\u52a0\u5404\u79cd\u5916\u754c\u6761\u4ef6\uff09<\/p>\n

2.3 Lammps\u529b\u573a\u52bf\u51fd\u6570\u8be6\u89e3\u548c\u53c2\u6570\u8bf4\u660e\uff08\u5982\u4f55\u9488\u5bf9\u7279\u5b9a\u8ba1\u7b97\u4f53\u7cfb\u5206\u6790\uff0c\u51c6\u786e\u9009\u62e9\u529b\u573a\uff09<\/p>\n

\u7b2c\u4e8c\u65e5\u8bfe\u7a0b\u5185\u5bb9<\/p>\n

3. Lammps\u6a21\u62df\u7ed3\u679c\u540e\u5904\u7406\/\u6570\u636e\u5206\u6790\u65b9\u6cd5\uff08\u4e00\uff09\u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u754c\u9762\u79bb\u5b50\u6269\u6563\/\u79bb\u5b50\u8fc7\u6ee4\u7814\u7a76\u201d<\/strong><\/p>\n

3.1 \u4f53\u7cfb\u80fd\u91cf\u6570\u636e\u5206\u6790\uff08\u539f\u5b50\u53d7\u529b\uff1b\u4f53\u7cfb\u603b\u80fd\u3001\u52a8\u80fd\u3001\u52bf\u80fd\u3001\u6e29\u5ea6\uff1b\u7279\u5b9a\u5c40\u90e8\u539f\u5b50group\u80fd\u91cf\u3001\u6e29\u5ea6\u7b49\uff09<\/p>\n

3.2 \u4f53\u7cfb\u52a8\u529b\u5b66\u7279\u6027\u5206\u6790\uff08\u5747\u65b9\u5dee\u4f4d\u79fb\uff08MSD\uff09\uff0c\u7ed3\u5408origin\u8f6f\u4ef6\u8ba1\u7b97\u6269\u6563\u7cfb\u6570\u7b49\uff09<\/p>\n

4. Lammps\u6a21\u62df\u7ed3\u679c\u540e\u5904\u7406\/\u6570\u636e\u5206\u6790\u65b9\u6cd5\uff08\u4e8c\uff09\u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u754c\u9762\u53cc\u7535\u5c42\u7ed3\u6784\u53ca\u6bd4\u7535\u5bb9\u7279\u6027\u7814\u7a76\u201d<\/strong><\/p>\n

4.1 \u4f53\u7cfb\u7ed3\u6784\u7279\u5f81\u6570\u636e\u5206\u6790\uff08\u7ed3\u5408VMD\u8f6f\u4ef6\uff0c\u8fdb\u884c\u539f\u5b50\u5bc6\u5ea6\u5206\u5e03\u5206\u6790\uff08Density profile\uff09\uff0c\u8ba1\u7b97\u5f84\u5411\u5206\u5e03\u51fd\u6570\uff08RDF\uff09\uff09<\/p>\n

4.2 \u7535\u6781\/\u7535\u89e3\u8d28\u754c\u9762\u53cc\u7535\u5c42\u7ed3\u6784\uff0c\u7535\u573a\u5206\u5e03\uff0c\u7535\u52bf\u5206\u5e03\u5206\u6790\uff08\u7ed3\u5408Matlab\u8f6f\u4ef6\uff0c\u5b66\u4e60\u4f7f\u7528Matlab\u8f6f\u4ef6\u5f3a\u5927\u7684\u6570\u636e\u5904\u7406\u548c\u8ba1\u7b97\u529f\u80fd\uff0c\u5b66\u4f1a\u7528Matlab\u811a\u672c\u540e\u5904\u7406\/\u5206\u6790\u6570\u636e\uff09<\/p>\n

4.3 \u7535\u6781\/\u7535\u89e3\u8d28\u754c\u9762\u53cc\u7535\u5c42\u6bd4\u7535\u5bb9\u8ba1\u7b97\u65b9\u6cd5<\/p>\n

\u4e13\u9898\u7814\u8ba8<\/strong><\/p>\n

\u4e13\u9898\uff1a\u5f85\u5b9a<\/p>\n

\u6ce8\uff1a\u4e13\u9898\u7814\u8ba8\u6bcf\u6708\u4e3e\u529e\u4e00\u6b21\uff0c\u6bcf\u6b21\u4e00\u5c0f\u65f6<\/p>\n

\u7ebf\u4e0a\u5c0f\u73ed\u548c\u4e13\u9898\u7814\u8ba8\u5747\u4e0d\u8bb2\u8ff0\u8f6f\u4ef6\u5b89\u88c5\u548c\u57fa\u672c\u4f7f\u7528\uff0c\u8be5\u90e8\u5206\u5185\u5bb9\u8bf7\u81ea\u884c\u5728\u6750\u6599\u4eba\u7f51APP\u4e2d\u89c2\u770b\u5b66\u4e60\u3002<\/strong><\/p>\n

\u53c2\u4e0e\u65b9\u5f0f<\/strong><\/p>\n

\u6bcf\u4f4d\u62a5\u540d\u53c2\u52a0\u300a\u6df1\u5165\u638c\u63e1lammps\u7684\u8ba1\u7b97\u548c\u5206\u6790\u300b\u8bf7\u5728APP\u5185\u4ed8\u6b3e\u62a5\u540d\u53c2\u52a0\u3002\u53c2\u4e0e\u672c\u6b21\u7ebf\u4e0a\u5c0f\u73ed\u7684\u540c\u5b66\u8bf7\u6dfb\u52a0\u5ba2\u670d\u5fae\u4fe1\uff08\u5fae\u4fe1\u53f7\uff1amaxw89\uff09\uff0c\u7531\u5ba2\u670d\u5b89\u6392\u4e0a\u8bfe\u3002<\/p>\n

\"\"<\/p>\n

\u4e13\u9898\u7814\u8ba8\u8bf7\u76f4\u63a5\u5728APP\u5185\u89c2\u770b\u5e76\u4e92\u52a8\u3002<\/p>\n

\u4e0a\u8bfe\u5e08\u8d44<\/strong><\/p>\n

\u4f59\u8001\u5e08\uff0c\u56fd\u5185985\u9ad8\u6821\u535a\u58eb\u6bd5\u4e1a\uff0c\u73b0\u8bbf\u5b66\u4e8e\u6cd5\u56fd\u8457\u540d\u6750\u6599\u7814\u7a76\u7ec4\u3002\u4f59\u8001\u5e08\u66fe\u62c5\u4efb\u9762\u5411\u672c\u79d1\u751f\u7684\u5206\u5b50\u52a8\u529b\u5b66\u8bfe\u7a0b\u8bb2\u5e08\uff0c\u4ee5\u53ca\u672c\u79d1\u751f\u5c0f\u7ec4\u8bfe\u5916\u79d1\u7814\u5b9e\u8df5\u8f85\u5bfc\u6559\u5e08\uff0c\u81ea2017\u5e74\u8d77\u62c5\u4efb\u6750\u6599\u4eba\u6750\u6599\u8ba1\u7b97\u79d1\u6280\u987e\u95ee\uff0c\u5e76\u62c5\u4efb\u5206\u5b50\u52a8\u529b\u5b661\u5bf91\u57f9\u8bad\u8bb2\u5e08\u3002<\/p>\n

\u8d39\u7528\u53ca\u53d1\u7968<\/strong><\/p>\n

\u300a\u6df1\u5165\u638c\u63e1lammps\u7684\u8ba1\u7b97\u548c\u5206\u6790\u7ebf\u4e0a\u8bad\u7ec3\u8425\u300b\u53c2\u4e0e\u8d39\u7528\u4e3a600\u5143\uff0c\u8bf7\u76f4\u63a5\u5728APP\u5185\u4ed8\u6b3e\u5e76\u7533\u8bf7\u5f00\u7968\u3002<\/p>\n

\u6ce8\u610f\u4e8b\u9879<\/strong><\/p>\n

1\uff1a\u6bcf\u4f4d\u6210\u529f\u62a5\u540d\u7684\u540c\u5b66\u6709\u4e00\u6b21\u53c2\u4e0e\u7ebf\u4e0a\u5c0f\u73ed\u7684\u673a\u4f1a\uff0c\u8bf7\u8054\u7cfb\u5ba2\u670d\u5b89\u6392\u3002<\/p>\n

2\uff1a\u6bcf\u4f4d\u6210\u529f\u62a5\u540d\u7684\u540c\u5b66\u5747\u53ef\u4ee5\u53c2\u52a0\u6bcf\u6b21\u7684\u4e13\u9898\u7814\u8ba8\uff0c\u8bf7\u6309\u65f6\u53c2\u52a0\u3002<\/p>\n

3\uff1a\u6bcf\u4f4d\u6210\u529f\u62a5\u540d\u7684\u540c\u5b66\u5747\u53ef\u4ee5\u89c2\u770b\u5230\u672c\u7ebf\u4e0a\u8bad\u7ec3\u8425\u6240\u6709\u7684\u7ebf\u4e0a\u5c0f\u73ed\u548c\u4e13\u9898\u7814\u8ba8\u7684\u56de\u770b\u89c6\u9891\u3002<\/p>\n

4\uff1a\u4ed8\u6b3e\u548c\u5f00\u53d1\u7968\u5747\u5728APP\u5185\u8fdb\u884c\uff0c\u5982\u9700\u5e2e\u52a9\u8bf7\u8054\u7cfb\u5ba2\u670d\u5fae\u4fe1\uff0c\u6216\u8005\u62e8\u6253\u7535\u8bdd010-82810279\u3002<\/p>\n

\u5b89\u5353\u7248APP\u5e94\u7528\u5b9d\u4e0b\u8f7d\u5730\u5740\uff08\u4e5f\u53ef\u5728\u767e\u5ea6\u624b\u673a\u52a9\u624b\u3001\u8c4c\u8c46\u835a\u7b49\u5e94\u7528\u5546\u5e97\u641c\u7d22\u6750\u6599\u4eba\uff09<\/strong><\/p>\n

\"\"<\/p>\n

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