dpdata/system.py POSCAR naming #194
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lammps-vasp
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Hello DP developers
Now I want to use POSCAR to make predictions. I have a lot of POSCAR, such as POSCAR1 POSCAR2 POSCAR3, etc. However, only the file name POSACR can be used to predict. If the file name is POSCAR1, an error will occur, which makes it impossible to write scripts to traverse the loop, which greatly reduces In order to improve efficiency, if I want to implement POSCAR1, POSCAR2 and other naming methods, how should I change the files in dpdata/vasp/system.py, and how should I change system.py?
Very much looking forward to reply
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