Version of votca-xtp-tutorials: 1.6.3-1
Architecture of votca-xtp-tutorials: all
votca-xtp-tutorials | votca-xtp-tutorials | ||
---|---|---|---|
size | filename | hash functions | filename |
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.log | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.log | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.opt | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system_property.txt | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.trj | ||
9.8 KB | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system_property.txt./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system_property.txt | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system_property.txt |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system_property.txt | ||
7.7 KB | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system_property.txt./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system_property.txt | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system_property.txt |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system_property.txt | ||
4.2 KB | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.trj./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.trj | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.trj |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.trj | ||
3.3 KB | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.trj./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.trj | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.trj |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.trj | ||
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 |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in | ||
1.4 KB | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system_property.txt | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system_property.txt | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_n.mps | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n.mps | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_h.mps | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/thiophene_e.mps | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e.mps | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/system.xml | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.engrad | ||
823 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e-pol.mps | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/molpol.xml | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/molpol.xml | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/thiophene_h.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/thiophene_h.xyz | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/thiophene_e.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/thiophene_e.xyz | ||
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sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.xyz | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz | ||
534 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg | ||
534 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg | ||
534 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg | ||
512 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.inp./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.inp |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp | ||
492 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.inp./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.inp | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.inp |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.inp | ||
491 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.inp./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.inp | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.inp |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.inp | ||
479 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/thiophene_n.xyz./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/thiophene_n.xyz | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/thiophene_n.xyz |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/thiophene_n.xyz | ||
467 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/Reorg_summary.csv | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/Reorg_summary.csv |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv | ||
463 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.init | ||
392 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/log2mps.xml./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/log2mps.xml |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml | ||
392 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/log2mps.xml./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/log2mps.xml | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/log2mps.xml |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/log2mps.xml | ||
392 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/log2mps.xml./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/log2mps.xml | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/log2mps.xml |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/log2mps.xml | ||
386 B | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/log2mps.xml./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/log2mps.xml | sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/log2mps.xml |
sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/log2mps.xml | ||
355 B | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/anion_geo/.ls./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/system.com./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/cation_geo/.ls | sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/anion_geo/.ls |
sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/cation_geo/.ls | ||
sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/g09/neutral_geo/system.com | ||
320 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.inp./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.inp | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.inp |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.inp | ||
316 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/polar.xml./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/polar.xml./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/polar.xml./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/polar.xml./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/polar.xml | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/polar.xml |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/polar.xml | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/polar.xml | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/polar.xml | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/polar.xml | ||
282 B | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/methane.xyz./usr/share/votca/tutorials-xtp/tools/dftgwbse_CH4/methane.xyz | sha512 | ./usr/share/votca/tutorials-xtp/GROMACS/Methane/QC_FILES/methane.xyz |
sha512 | ./usr/share/votca/tutorials-xtp/tools/dftgwbse_CH4/methane.xyz | ||
53 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.output | ||
44 B | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MD_FILES/MD_Input/molecule_in_vacuum.in.run | ||
4 B | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.prop./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.prop | sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/GS_chelpg/system.prop |
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/electron_chelpg/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/MP_FILES/hole_chelpg/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/GS_opt/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/electron/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/hole/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/electron/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/hole/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/electrom_opt/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/KMC_Thiophene/QC_FILES/hole_opt/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/GS_opt/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.prop | ||
sha512 | ./usr/share/votca/tutorials-xtp/LAMMPS/Thiophene/QC_FILES/hole_opt/system.prop |