structure, script to check paths
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- docs.it4i/salomon/software/chemistry/molpro.md 0 additions, 63 deletionsdocs.it4i/salomon/software/chemistry/molpro.md
- docs.it4i/salomon/software/chemistry/nwchem.md 0 additions, 43 deletionsdocs.it4i/salomon/software/chemistry/nwchem.md
- docs.it4i/software/chemistry/INCAR 13 additions, 0 deletionsdocs.it4i/software/chemistry/INCAR
- docs.it4i/software/chemistry/KPOINTS 6 additions, 0 deletionsdocs.it4i/software/chemistry/KPOINTS
- docs.it4i/software/chemistry/POSCAR 16 additions, 0 deletionsdocs.it4i/software/chemistry/POSCAR
- docs.it4i/software/chemistry/POTCAR 2208 additions, 0 deletionsdocs.it4i/software/chemistry/POTCAR
- docs.it4i/software/chemistry/gofree-cond1.sh 23 additions, 0 deletionsdocs.it4i/software/chemistry/gofree-cond1.sh
- docs.it4i/software/chemistry/prepare.sh 44 additions, 0 deletionsdocs.it4i/software/chemistry/prepare.sh
- docs.it4i/software/chemistry/run.sh 31 additions, 0 deletionsdocs.it4i/software/chemistry/run.sh
- docs.it4i/software/chemistry/submit.sh 35 additions, 0 deletionsdocs.it4i/software/chemistry/submit.sh
- docs.it4i/software/comsol/comsol-multiphysics.md 1 addition, 1 deletiondocs.it4i/software/comsol/comsol-multiphysics.md
- docs.it4i/software/numerical-languages/r.md 1 addition, 1 deletiondocs.it4i/software/numerical-languages/r.md
- pathcheck.sh 32 additions, 0 deletionspathcheck.sh
- todelete 12 additions, 0 deletionstodelete
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