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  • Update : 2011-08-12
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紧束缚分子动力学源代码
Packet file list
(Preview for download)
Packet : DFTB.rar filelist
DFTB/band_struct.tar.gz
DFTB/dftb-plus-1[1][1].0.1_autotest.tar.gz
DFTB/dftb-plus-1[1][1].0.1_i686-linux-ifort.tar.gz
DFTB/first_calc.tar.gz
DFTB/geostats-0.4.0.tar.gz
DFTB/waveplot-i686-linux.tar.gz
DFTB/waveplot-x86_64-linux.tar.gz
DFTB/i686-linux-ifort/dftb+
DFTB/i686-linux-ifort/dftb_in.hsd
DFTB/i686-linux-ifort/O-O.skf
DFTB/i686-linux-ifort/O-H.skf
DFTB/i686-linux-ifort/H-O.skf
DFTB/i686-linux-ifort/H-H.skf
DFTB/i686-linux-ifort/dftb_pin.hsd
DFTB/i686-linux-ifort/autotest.tag
DFTB/i686-linux-ifort/detailed.out
DFTB/i686-linux-ifort/dftboutput
DFTB/i686-linux-ifort/band.out
DFTB/i686-linux-ifort/charges.bin
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/_output.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/Si-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/O-Si.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O/O-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/_output.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/Si-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/O-Si.skf
DFTB/dftb+_1.0.1_autotest/geoopt/Vsi+O-nonscc/O-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/_output.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/O-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/H-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/H-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-nonscc/O-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/_output.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/O-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/H-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/H-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O-constr/O-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/_output.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/O-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/H-O.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/H-H.skf
DFTB/dftb+_1.0.1_autotest/geoopt/H2O/O-O.skf
DFTB/dftb+_1.0.1_autotest/README
DFTB/dftb+_1.0.1_autotest/tagdiff.conf
DFTB/dftb+_1.0.1_autotest/md/Si_8/_output.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/md/Si_8/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/md/Si_8-tempprofile/_output.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-tempprofile/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-tempprofile/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/md/Si_8-tempprofile/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-tempprofile/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat2/_output.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat2/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat2/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat2/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat2/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat/_output.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/md/Si_8-thermostat/Si-Si.skf
DFTB/dftb+_1.0.1_autotest/md/H3/_output.gz
DFTB/dftb+_1.0.1_autotest/md/H3/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/md/H3/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/md/H3/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/md/H3/H-H.skf
DFTB/dftb+_1.0.1_autotest/bin/tagreader.py
DFTB/dftb+_1.0.1_autotest/bin/autotest2
DFTB/dftb+_1.0.1_autotest/bin/tagdiff
DFTB/dftb+_1.0.1_autotest/bin/uncommlines.py
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/_output.gz
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/As-As.skf
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/As-Ga.skf
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/Ga-Ga.skf
DFTB/dftb+_1.0.1_autotest/spin/GaAs_2/Ga-As.skf
DFTB/dftb+_1.0.1_autotest/spin/Fe4/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/spin/Fe4/Fe-Fe.skf
DFTB/dftb+_1.0.1_autotest/spin/H2/_output.gz
DFTB/dftb+_1.0.1_autotest/spin/H2/_detailed.out.gz
DFTB/dftb+_1.0.1_autotest/spin/H2/dftb_in.hsd
DFTB/dftb+_1.0.1_autotest/spin/H2/_autotest.tag.gz
DFTB/dftb+_1.0.1_autotest/spin/H2/H-H.skf
DFTB/dftb+_1.0.1_autotest/spin/H2O-periodic/_output.gz
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