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renren123123金虫 (正式写手)
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[交流]
【求助】在数据和文本混合的文件中如何用MATLAB选择性的输出相应数据
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我目前又一个这样的文件: # transiestac:: Copyright 2003, Atomistix A/S # --------------------------------------------------------- # transiestac:: Date :: Tue Jan 13 18:05:11 2009 # transiestac:: Version :: 1.3.0.4-2004-10-22 # transiestac:: User :: fan@localhost.localdomain # transiestac:: Number of processors :: 1 # transiestac:: Scratch directory :: ./ # --------------------------------------------------------- # transiestac:: Data parsed from file : setup-0.0.atk # transiestac:: System default file : /home/fan/install_D/share/transiestac/transiestac_defaults # transiestac:: User default file : NONE # --------------------------------------------------------- # Coordinates # --------------------------------------------------------- # --------------------------------------------------------- System::Type TwoProbe AtomList::Format Ang %block TwoProbe::CentralAtomList Au 11.39254 15.83311 7.06916 Au 12.83553 18.33243 7.06916 %endblock TwoProbe::CentralAtomList TwoProbe::LeftElectrode::EquivalentCentralAtom 0 TwoProbe::LeftElectrode::EquivalentElectrodeAtom 0 TwoProbe::LeftElectrode::NumSurfaceAtoms 32 TwoProbe::LeftElectrode::Voltage 0.40000 eV TwoProbe::RightElectrode::EquivalentCentralAtom 253 TwoProbe::RightElectrode::EquivalentElectrodeAtom 47 TwoProbe::RightElectrode::NumSurfaceAtoms 48 TwoProbe::RightElectrode::Voltage 0.00000 eV TwoProbe::Molecule::GateVoltage 0.00000 eV # --------------------------------------------------------- # Simulation Params # --------------------------------------------------------- Simulation::Type SingleConfiguration # --------------------------------------------------------- # --------------------------------------------------------- # Method Params # --------------------------------------------------------- Method::Type NumOrb NumOrb::IonFileDirectory /home/fan/install_D/share/transiestac/basissets/atk1.0/ NumOrb::BasisType SZ NumOrb::IonFile::Au au_pz_sz.ion NumOrb::IonFile::S s_pz_sz.ion NumOrb::IonFile::H h_pz_sz.ion NumOrb::IonFile::C c_pz_sz.ion NumOrb::IonFile::O o_pz_sz.ion NumOrb::XCFunctional LDA-PZ NumOrb::MeshCutoff 1360.59500 eV NumOrb::MoleculePaddingFactor 0.10000 NumOrb::RadialSampling: R 0.00265 Ang NumOrb::RadialSampling::MaxRange 10.58354 Ang NumOrb::Tables::Cutoff 34014.87504 eV NumOrb::Tables::NumPoints 1024 # --------------------------------------------------------- # NumOrb:: IonFiles # Symbol: Au IonFile: /home/fan/install_D/share/transiestac/basissets/atk1.0/au_pz_sz.ion # Symbol: S IonFile: /home/fan/install_D/share/transiestac/basissets/atk1.0/s_pz_sz.ion # Symbol: H IonFile: /home/fan/install_D/share/transiestac/basissets/atk1.0/h_pz_sz.ion # Symbol: C IonFile: /home/fan/install_D/share/transiestac/basissets/atk1.0/c_pz_sz.ion # Symbol: O IonFile: /home/fan/install_D/share/transiestac/basissets/atk1.0/o_pz_sz.ion # --------------------------------------------------------- # TwoProbe Density Matrix Params # --------------------------------------------------------- TwoProbe::Contour::Circle::NumPoints 30 TwoProbe::Contour::RealAxis: ointDensity 0.02000 eVTwoProbe::Contour::KTPoles::NumPoints 4 TwoProbe::Contour::FermiLine::NumPoints 10 TwoProbe::Contour::RealAxis::Eta 0.01000 eV TwoProbe::Contour: eltaEMin 40.81785 eV# --------------------------------------------------------- # Left Electrode DM Params # Left::Electrode::NumKPoints::A 1 # Left::Electrode::NumKPoints::B 1 # Left::Electrode::NumKPoints::C 200 # --------------------------------------------------------- # Right Electrode DM Params # Right::Electrode::NumKPoints::A 1 # Right::Electrode::NumKPoints::B 1 # Right::Electrode::NumKPoints::C 200 # --------------------------------------------------------- # --------------------------------------------------------- # SCF Parameters # dRho = Difference in density matrix from previous step. # --------------------------------------------------------- # contour : Using temporary file : /home/fan/japan/px-so-p3/transiestac-contour-0.tmp # --------------------------------------------------------- # Atom : 209 -0.011 1.040 1.243 # Atom : 210 0.068 -0.156 -0.061 # Atom : 211 -0.048 -0.010 -0.031 # Atom : 212 -0.001 -0.020 -0.020 # Atom : 238 0.151 0.005 0.132 # MPSH:: NOTE:: Eigenvalues are relative to average fermi energy. # --------------------------------------------------------- # Eigenvalue (eV) # --------------------------------------------------------- # 0 -24.50460 # 1 -24.49566 # 2 -24.47050 # 3 -24.37929 # 419 26.54086 # --------------------------------------------------------- %endblock Results::MolecularProjectedEigenvalues %block Results::TransmissionSpectrum # --------------------------------------------------------- # Analysis:: Transmission Spectrum # Transmission Spectrum:: Average Fermi Energy: -2.72427 eV # Transmission Spectrum:: Left Chemical Potential : -2.92428 eV # Transmission Spectrum:: Right Chemical Potential : -2.52427 eV # Transmission Spectrum:: Current : 2.47242 uA # TransmissionSpectrum:: NOTE:: Positive current indicates current flow from the left electrode to # the right electrode (i.e. electrons flow the right electrode to # the left electrode. # TransmissionSpectrum:: NOTE:: Incident energies are relative to average fermi energy. # Energy (eV) Transmission DOS PDOS KX KY T0 T1 T2 # --------------------------------------------------------- -3.00000 0.097970 3884.2 51.657 0.00000 0.00000 0.097970 0.000000 0.000000 -2.98000 0.281934 5987.8 62.537 0.00000 0.00000 0.281934 0.000000 0.000000 -2.96000 0.128535 4184.7 60.467 0.00000 0.00000 0.128535 0.000000 0.000000# --------------------------------------------------------- %endblock Results::TransmissionSpectrum # --------------------------------------------------------- # --------------------------------------------------------- # Start time :: Tue Jan 13 18:05:11 2009 # End time :: Wed Jan 14 15:33:06 2009 # --------------------------------------------------------- 如果我想只要红色、蓝色和紫色的三段内容,并将之分别放入三个不同的文件中,如A.dat ;T.dat; J.dat 怎么做?怎么编程实现啊?谢谢!!! [ Last edited by sunxiao on 2009-3-9 at 08:31 ] |
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sunxiao(金币+3,VIP+0):谢谢参与,常来交流 2-13 10:45
sunxiao(金币+3,VIP+0):谢谢参与,常来交流 2-13 10:45
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fopen fclose打开关闭文件 fread fwrite 读写文件 fgetl 语句读取特定行 strread识别字符串 %打开输入文件 fin=fopen('input.dat','r'); %跳过n行,n跟据实际需要而定 for i=1:n fgetl(fin); end %读取n行 for i=i:n temp=fgetl(fin); text{n}=temp; end %关闭输入文件 fclose(fin); %输出文件 fout=fopen('A.dat','w'); fwrite(fout,text{:}); fclose(fout); |
2楼2009-02-13 10:27:09







R 0.00265 Ang
ointDensity 0.02000 eV
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