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zuocuiping木虫 (职业作家)
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Image Energy-(eV) Total, Project, Elastic Total, Project, Elastic F Dist SpaceG 1 -281.2191 [ 0.359, 0.359, 0.000] [ 0.152, 0.152, 0.000] 0 0.0000 7 2 -278.5425 [ 0.520, 0.520, 0.001] [ 0.171, 0.171, 0.001] 0 1.5855 1 3 -268.2619 [ 1.106, 1.107, 0.003] [ 0.373, 0.374, 0.003] 0 1.5855 1 4 -250.4538 [ 2.182, 2.186, 0.007] [ 0.844, 0.845, 0.008] 0 1.5855 1 5 -222.7596 [ 4.205, 4.211, 0.011] [ 1.582, 1.583, 0.013] 0 1.5855 1 6 -190.8232 [ 7.855, 7.859, 0.008] [ 2.507, 2.508, 0.010] 0 1.5855 1 7 -164.5317 [ 12.245, 12.246, 0.002] [ 3.265, 3.265, 0.003] 0 1.5855 1 8 -157.3941 [ 13.948, 13.948, 0.000] [ 3.286, 3.286, 0.001] 0 1.5855 1 <-TS-> 9 -173.3995 [ 11.233, 11.232, 0.004] [ 3.081, 3.081, 0.005] 0 1.5855 1 10 -202.4544 [ 6.777, 6.773, 0.008] [ 2.420, 2.420, 0.011] 0 1.5855 1 11 -232.0890 [ 3.409, 3.406, 0.008] [ 1.590, 1.590, 0.011] 0 1.5855 1 12 -255.8038 [ 1.534, 1.534, 0.005] [ 0.895, 0.895, 0.006] 0 1.5855 1 13 -271.5957 [ 1.007, 1.008, 0.002] [ 0.441, 0.442, 0.002] 0 1.5855 1 14 -280.4598 [ 1.093, 1.093, 0.000] [ 0.184, 0.184, 0.000] 0 1.5855 1 15 -283.8727 [ 0.957, 0.957, 0.000] [ 0.060, 0.060, 0.000] 0 1.5855 12 Activation energy (->  = 123.825 eVActivation energy (<-) = 126.479 eV 我想提取这个Activation energy (-> =后面的数据，用matlab怎么编程呢？从网上下载了一下 %% by ustb.liangdeshan@gmail.com clear clc fid=fopen('mydata.txt'); row=0; while ~feof(fid) a{row+1}=fgets(fid); row=row+1; end fclose(fid); %% rowab=0; for ii=1:row wz=strfind(a(ii),'Activation energy (-> =');if ~cellfun(@isempty,wz) wzz=wz{1}; aastr=a{ii}; aa=str2double(aastr(wzz(1)-5:wzz(1)-11)); %bb=str2double(aastr(wzz(2)-6:wzz(2)-1)); rowab=rowab+1; aasave(rowab,  =[aa,bb]; end end aasave 感觉运行出错，没有看懂程序，谢谢 |
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2楼2019-07-13 08:00:12
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