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Update geometry table from mctc-lib supported files #115

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Update geometry table from mctc-lib supported files #115

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6 changes: 5 additions & 1 deletion source/geometry.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -15,13 +15,17 @@ Currently the following input formats are supported by ``xtb``.
Format Basename Suffix molecular periodic
======================= ================= ======================= =========== ==========
Turbomole coord coord, tmol x 3D
xyz file xyz x
xyz file xyz, log x
mol file mol x
Structure-Data file sdf x
Protein Database file pdb x
Vasp's POSCAR/CONTCAR poscar, contcar vasp, poscar, contcar 3D
genFormat gen x 3D
Gaussian external ein x
QCSchema JSON json x
Chemical JSON cjson x 3D
FHI-aims geometry.in geometry.in x 3D
QChem molecule format qchem x
======================= ================= ======================= =========== ==========

.. note:: The default format is always Turbomole and neither the suffix nor the
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