votca-xtp-tutorials <-> votca-xtp-tutorials

Version of votca-xtp-tutorials: 1.6.3-1

Architecture of votca-xtp-tutorials: all

votca-xtp-tutorialsvotca-xtp-tutorials
sizefilenamehash functionsfilename
30.0 MB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/traj.dump./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/traj.dump sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/traj.dump
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/traj.dump
2.5 MB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/newfile.data./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/newfile.data sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/newfile.data
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/newfile.data
1.5 MB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.data
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw
861.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.gbw
753.1 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.log
512.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw
512.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.gbw
512.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw
512.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.gbw
512.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.gbw./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.gbw
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw
457.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.vpot./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.vpot sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.vpot
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.vpot
455.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.vpot sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.vpot
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot
454.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.vpot sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.vpot
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot
224.2 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.log
222.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.log
221.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.settings
73.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.opt./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.opt sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.opt
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.opt
71.3 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.log
71.2 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log
66.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.log
66.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.log
66.0 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log
65.9 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.log
53.5 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log
48.6 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.log./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.log
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48.5 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.log
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48.5 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.log./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.log
sha512./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log
44.7 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.opt./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.opt sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.opt
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39.7 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.opt sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.opt
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38.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system_property.txt./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system_property.txt sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system_property.txt
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16.8 KB./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.trj./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.trj sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.trj
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1.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in
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1.4 KB./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt sha512./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt
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