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findTDE v1.2.0

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@hauck-as hauck-as released this 03 Sep 21:48
· 25 commits to main since this release
v1.2.0
0e430f8

Added functionalities in vasp_vel_write.py and find_tde to enable use of LAMMPS alone. Previous -p lammps option used POSCAR/POTCAR files from VASP which are then converted to LAMMPS inputs. This option was changed to -p lammpsish. The new -p lammps option reads in and edits the LAMMPS data files directly to remove any VASP dependencies from this option. Some refactoring and documentation changes were also done to match this.

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