uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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keyword posfile POSCAR search incorrect with similar names #446

Open cmgtam opened 8 years ago

cmgtam commented 8 years ago

If there is a POSCAR file in the directory with the input file, POSCAR_a_b and the input file's structure section specifies posfile POSCAR_a then POSCAR_a_b will be read in and processed instead of warning about not being able to find POSCAR_a Also, the search method may fail if there is a subdirectory containing POSCAR files with similar names.