CHANGES.txt
LICENSE
MANIFEST.in
README.rst
requirements-optional.txt
requirements.txt
setup.cfg
setup.py
atomate/__init__.py
atomate.egg-info/PKG-INFO
atomate.egg-info/SOURCES.txt
atomate.egg-info/dependency_links.txt
atomate.egg-info/not-zip-safe
atomate.egg-info/requires.txt
atomate.egg-info/top_level.txt
atomate/common/__init__.py
atomate/common/firetasks/__init__.py
atomate/common/firetasks/glue_tasks.py
atomate/common/firetasks/parse_outputs.py
atomate/common/firetasks/run_calc.py
atomate/feff/__init__.py
atomate/feff/database.py
atomate/feff/firetasks/__init__.py
atomate/feff/firetasks/glue_tasks.py
atomate/feff/firetasks/parse_outputs.py
atomate/feff/firetasks/run_calc.py
atomate/feff/firetasks/write_inputs.py
atomate/feff/fireworks/__init__.py
atomate/feff/fireworks/core.py
atomate/feff/workflows/__init__.py
atomate/feff/workflows/core.py
atomate/lammps/__init__.py
atomate/lammps/database.py
atomate/lammps/firetasks/__init__.py
atomate/lammps/firetasks/parse_outputs.py
atomate/lammps/firetasks/run_calc.py
atomate/lammps/firetasks/write_inputs.py
atomate/lammps/tests/reference_files/lammps.inp
atomate/lammps/tests/reference_files/npt.data
atomate/lammps/tests/reference_files/peo.dcd
atomate/lammps/tests/reference_files/peo.dump
atomate/lammps/tests/reference_files/peo.log
atomate/lammps/workflows/__init__.py
atomate/lammps/workflows/core.py
atomate/utils/__init__.py
atomate/utils/database.py
atomate/utils/fileio.py
atomate/utils/testing.py
atomate/utils/utils.py
atomate/vasp/__init__.py
atomate/vasp/config.py
atomate/vasp/database.py
atomate/vasp/drones.py
atomate/vasp/powerups.py
atomate/vasp/submission_filter.py
atomate/vasp/vasp_config.py
atomate/vasp/vasp_powerups.py
atomate/vasp/analysis/__init__.py
atomate/vasp/analysis/phonopy.py
atomate/vasp/builders/__init__.py
atomate/vasp/builders/bandgap_estimation.py
atomate/vasp/builders/base.py
atomate/vasp/builders/boltztrap_materials.py
atomate/vasp/builders/dielectric.py
atomate/vasp/builders/file_materials.py
atomate/vasp/builders/fix_tasks.py
atomate/vasp/builders/materials_descriptor.py
atomate/vasp/builders/materials_ehull.py
atomate/vasp/builders/tags.py
atomate/vasp/builders/tasks_materials.py
atomate/vasp/builders/tasks_materials_settings.yaml
atomate/vasp/examples/__init__.py
atomate/vasp/examples/builders_example.py
atomate/vasp/examples/standard_config/FW_config.yaml
atomate/vasp/examples/standard_config/db.json
atomate/vasp/examples/standard_config/my_fworker.yaml
atomate/vasp/examples/standard_config/my_launchpad.yaml
atomate/vasp/examples/standard_config/my_qadapter.yaml
atomate/vasp/firetasks/__init__.py
atomate/vasp/firetasks/glue_tasks.py
atomate/vasp/firetasks/neb_tasks.py
atomate/vasp/firetasks/parse_outputs.py
atomate/vasp/firetasks/run_calc.py
atomate/vasp/firetasks/write_inputs.py
atomate/vasp/fireworks/__init__.py
atomate/vasp/fireworks/core.py
atomate/vasp/test_files/Al/Al-nscf_uniform-180492.error.gz
atomate/vasp/test_files/Al/Al-nscf_uniform-180492.out.gz
atomate/vasp/test_files/Al/CHG.gz
atomate/vasp/test_files/Al/CHGCAR.gz
atomate/vasp/test_files/Al/CONTCAR.gz
atomate/vasp/test_files/Al/DOSCAR.gz
atomate/vasp/test_files/Al/EIGENVAL.gz
atomate/vasp/test_files/Al/FW--Al-nscf_uniform.gz
atomate/vasp/test_files/Al/FW.json.gz
atomate/vasp/test_files/Al/FW_submit.script.gz
atomate/vasp/test_files/Al/INCAR.gz
atomate/vasp/test_files/Al/INCAR.orig.gz
atomate/vasp/test_files/Al/KPOINTS.gz
atomate/vasp/test_files/Al/KPOINTS.orig.gz
atomate/vasp/test_files/Al/OSZICAR.gz
atomate/vasp/test_files/Al/OUTCAR.gz
atomate/vasp/test_files/Al/PCDAT.gz
atomate/vasp/test_files/Al/POSCAR.gz
atomate/vasp/test_files/Al/POSCAR.orig.gz
atomate/vasp/test_files/Al/POTCAR.gz
atomate/vasp/test_files/Al/POTCAR.orig.gz
atomate/vasp/test_files/Al/PROCAR.gz
atomate/vasp/test_files/Al/WAVECAR.gz
atomate/vasp/test_files/Al/XDATCAR.gz
atomate/vasp/test_files/Al/custodian.json.gz
atomate/vasp/test_files/Al/vasp.out.gz
atomate/vasp/test_files/Al/vasprun.xml.gz
atomate/vasp/test_files/POT_GGA_PAW_PBE/POTCAR.H.gz
atomate/vasp/test_files/POT_GGA_PAW_PBE/POTCAR.Ir.gz
atomate/vasp/test_files/POT_GGA_PAW_PBE/POTCAR.Li.gz
atomate/vasp/test_files/POT_GGA_PAW_PBE/POTCAR.O.gz
atomate/vasp/test_files/POT_GGA_PAW_PBE/POTCAR.Si.gz
atomate/vasp/test_files/Si_nscf_line/inputs/INCAR
atomate/vasp/test_files/Si_nscf_line/inputs/KPOINTS
atomate/vasp/test_files/Si_nscf_line/inputs/POSCAR
atomate/vasp/test_files/Si_nscf_line/inputs/POTCAR
atomate/vasp/test_files/Si_nscf_line/outputs/CHG.gz
atomate/vasp/test_files/Si_nscf_line/outputs/CHGCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/CONTCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/DOSCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/EIGENVAL.gz
atomate/vasp/test_files/Si_nscf_line/outputs/FW.json.gz
atomate/vasp/test_files/Si_nscf_line/outputs/INCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/INCAR.orig.gz
atomate/vasp/test_files/Si_nscf_line/outputs/KPOINTS.gz
atomate/vasp/test_files/Si_nscf_line/outputs/KPOINTS.orig.gz
atomate/vasp/test_files/Si_nscf_line/outputs/OSZICAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/OUTCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/PCDAT.gz
atomate/vasp/test_files/Si_nscf_line/outputs/POSCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/POSCAR.orig.gz
atomate/vasp/test_files/Si_nscf_line/outputs/POTCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/POTCAR.orig.gz
atomate/vasp/test_files/Si_nscf_line/outputs/PROCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/REPORT.gz
atomate/vasp/test_files/Si_nscf_line/outputs/WAVECAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/XDATCAR.gz
atomate/vasp/test_files/Si_nscf_line/outputs/custodian.json.gz
atomate/vasp/test_files/Si_nscf_line/outputs/vasp.out.gz
atomate/vasp/test_files/Si_nscf_line/outputs/vasprun.xml.gz
atomate/vasp/test_files/Si_nscf_uniform/inputs/INCAR
atomate/vasp/test_files/Si_nscf_uniform/inputs/KPOINTS
atomate/vasp/test_files/Si_nscf_uniform/inputs/POSCAR
atomate/vasp/test_files/Si_nscf_uniform/inputs/POTCAR
atomate/vasp/test_files/Si_nscf_uniform/outputs/CHG.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/CHGCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/CONTCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/DOSCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/EIGENVAL.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/FW.json.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/INCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/INCAR.orig.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/KPOINTS.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/KPOINTS.orig.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/OSZICAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/OUTCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/PCDAT.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/POSCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/POSCAR.orig.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/POTCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/POTCAR.orig.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/PROCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/REPORT.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/WAVECAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/XDATCAR.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/custodian.json.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/vasp.out.gz
atomate/vasp/test_files/Si_nscf_uniform/outputs/vasprun.xml.gz
atomate/vasp/test_files/Si_static/inputs/INCAR
atomate/vasp/test_files/Si_static/inputs/KPOINTS
atomate/vasp/test_files/Si_static/inputs/POSCAR
atomate/vasp/test_files/Si_static/inputs/POTCAR
atomate/vasp/test_files/Si_static/outputs/AECCAR0.gz
atomate/vasp/test_files/Si_static/outputs/AECCAR1.gz
atomate/vasp/test_files/Si_static/outputs/AECCAR2.gz
atomate/vasp/test_files/Si_static/outputs/CHG.gz
atomate/vasp/test_files/Si_static/outputs/CHGCAR.gz
atomate/vasp/test_files/Si_static/outputs/CONTCAR.gz
atomate/vasp/test_files/Si_static/outputs/DOSCAR.gz
atomate/vasp/test_files/Si_static/outputs/EIGENVAL.gz
atomate/vasp/test_files/Si_static/outputs/FW.json.gz
atomate/vasp/test_files/Si_static/outputs/IBZKPT.gz
atomate/vasp/test_files/Si_static/outputs/INCAR.gz
atomate/vasp/test_files/Si_static/outputs/INCAR.orig.gz
atomate/vasp/test_files/Si_static/outputs/KPOINTS.gz
atomate/vasp/test_files/Si_static/outputs/KPOINTS.orig.gz
atomate/vasp/test_files/Si_static/outputs/LOCPOT.gz
atomate/vasp/test_files/Si_static/outputs/OSZICAR.gz
atomate/vasp/test_files/Si_static/outputs/OUTCAR.gz
atomate/vasp/test_files/Si_static/outputs/PCDAT.gz
atomate/vasp/test_files/Si_static/outputs/POSCAR.gz
atomate/vasp/test_files/Si_static/outputs/POSCAR.orig.gz
atomate/vasp/test_files/Si_static/outputs/POTCAR.gz
atomate/vasp/test_files/Si_static/outputs/POTCAR.orig.gz
atomate/vasp/test_files/Si_static/outputs/PROCAR.gz
atomate/vasp/test_files/Si_static/outputs/REPORT.gz
atomate/vasp/test_files/Si_static/outputs/WAVECAR.gz
atomate/vasp/test_files/Si_static/outputs/XDATCAR.gz
atomate/vasp/test_files/Si_static/outputs/custodian.json.gz
atomate/vasp/test_files/Si_static/outputs/vasp.out.gz
atomate/vasp/test_files/Si_static/outputs/vasprun.xml.gz
atomate/vasp/test_files/Si_structure_optimization/inputs/INCAR
atomate/vasp/test_files/Si_structure_optimization/inputs/KPOINTS
atomate/vasp/test_files/Si_structure_optimization/inputs/POSCAR
atomate/vasp/test_files/Si_structure_optimization/inputs/POTCAR
atomate/vasp/test_files/Si_structure_optimization/outputs/CHG.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/CHGCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/CONTCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/DOSCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/EIGENVAL.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/FW.json.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/IBZKPT.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/INCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/INCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/KPOINTS.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/KPOINTS.orig.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/OSZICAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/OUTCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/PCDAT.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/POSCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/POSCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/POTCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/POTCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/PROCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/REPORT.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/WAVECAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/XDATCAR.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/custodian.json.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/vasp.out.gz
atomate/vasp/test_files/Si_structure_optimization/outputs/vasprun.xml.gz
atomate/vasp/test_files/Si_structure_optimization_plain/inputs/INCAR
atomate/vasp/test_files/Si_structure_optimization_plain/inputs/KPOINTS
atomate/vasp/test_files/Si_structure_optimization_plain/inputs/POSCAR
atomate/vasp/test_files/Si_structure_optimization_plain/inputs/POTCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/CONTCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/DOSCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/EIGENVAL
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/IBZKPT
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/INCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/INCAR.orig
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/KPOINTS
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/KPOINTS.orig
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/OSZICAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/OUTCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/PCDAT
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/POSCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/POSCAR.orig
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/POTCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/POTCAR.orig
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/PROCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/REPORT
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/WAVECAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/XDATCAR
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/vasp.out
atomate/vasp/test_files/Si_structure_optimization_plain/outputs/vasprun.xml
atomate/vasp/test_files/Si_structure_optimization_relax2/inputs/INCAR
atomate/vasp/test_files/Si_structure_optimization_relax2/inputs/KPOINTS
atomate/vasp/test_files/Si_structure_optimization_relax2/inputs/POSCAR
atomate/vasp/test_files/Si_structure_optimization_relax2/inputs/POTCAR
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CHG.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CHG.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CHGCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CHGCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CONTCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/CONTCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/DOSCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/DOSCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/EIGENVAL.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/EIGENVAL.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/FW--Si-structure_optimization.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/FW.json.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/FW_submit.script.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/IBZKPT.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/IBZKPT.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/INCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/INCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/INCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/KPOINTS.orig.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/KPOINTS.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/KPOINTS.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/OSZICAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/OSZICAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/OUTCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/OUTCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/PCDAT.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/POSCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/POSCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/POSCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/POTCAR.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/POTCAR.orig.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/PROCAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/PROCAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/Si-structure_optimiz-172714.error.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/Si-structure_optimiz-172714.out.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/WAVECAR.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/WAVECAR.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/XDATCAR.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/custodian.json.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/vasp.out.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/vasp.out.relax2.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/vasprun.xml.relax1.gz
atomate/vasp/test_files/Si_structure_optimization_relax2/outputs/vasprun.xml.relax2.gz
atomate/vasp/test_files/adsorbate_wf/1/inputs/INCAR
atomate/vasp/test_files/adsorbate_wf/1/inputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/1/inputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/1/inputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/1/outputs/CONTCAR
atomate/vasp/test_files/adsorbate_wf/1/outputs/INCAR
atomate/vasp/test_files/adsorbate_wf/1/outputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/1/outputs/OUTCAR.gz
atomate/vasp/test_files/adsorbate_wf/1/outputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/1/outputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/1/outputs/vasprun.xml.gz
atomate/vasp/test_files/adsorbate_wf/2/inputs/INCAR
atomate/vasp/test_files/adsorbate_wf/2/inputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/2/inputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/2/inputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/2/outputs/CONTCAR
atomate/vasp/test_files/adsorbate_wf/2/outputs/INCAR
atomate/vasp/test_files/adsorbate_wf/2/outputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/2/outputs/OUTCAR.gz
atomate/vasp/test_files/adsorbate_wf/2/outputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/2/outputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/2/outputs/vasprun.xml.gz
atomate/vasp/test_files/adsorbate_wf/3/inputs/INCAR
atomate/vasp/test_files/adsorbate_wf/3/inputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/3/inputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/3/inputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/3/outputs/CONTCAR
atomate/vasp/test_files/adsorbate_wf/3/outputs/INCAR
atomate/vasp/test_files/adsorbate_wf/3/outputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/3/outputs/OUTCAR.gz
atomate/vasp/test_files/adsorbate_wf/3/outputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/3/outputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/3/outputs/vasprun.xml.gz
atomate/vasp/test_files/adsorbate_wf/4/inputs/INCAR
atomate/vasp/test_files/adsorbate_wf/4/inputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/4/inputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/4/inputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/4/outputs/CONTCAR
atomate/vasp/test_files/adsorbate_wf/4/outputs/INCAR
atomate/vasp/test_files/adsorbate_wf/4/outputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/4/outputs/OUTCAR.gz
atomate/vasp/test_files/adsorbate_wf/4/outputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/4/outputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/4/outputs/vasprun.xml.gz
atomate/vasp/test_files/adsorbate_wf/5/inputs/INCAR
atomate/vasp/test_files/adsorbate_wf/5/inputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/5/inputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/5/inputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/5/outputs/CONTCAR
atomate/vasp/test_files/adsorbate_wf/5/outputs/INCAR
atomate/vasp/test_files/adsorbate_wf/5/outputs/KPOINTS
atomate/vasp/test_files/adsorbate_wf/5/outputs/OUTCAR.gz
atomate/vasp/test_files/adsorbate_wf/5/outputs/POSCAR
atomate/vasp/test_files/adsorbate_wf/5/outputs/POTCAR
atomate/vasp/test_files/adsorbate_wf/5/outputs/vasprun.xml.gz
atomate/vasp/test_files/bulk_modulus_wf/1/inputs/INCAR
atomate/vasp/test_files/bulk_modulus_wf/1/inputs/KPOINTS
atomate/vasp/test_files/bulk_modulus_wf/1/inputs/POSCAR
atomate/vasp/test_files/bulk_modulus_wf/1/inputs/POTCAR
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/CONTCAR
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/INCAR
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/KPOINTS
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/OUTCAR.gz
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/POTCAR
atomate/vasp/test_files/bulk_modulus_wf/1/outputs/vasprun.xml.gz
atomate/vasp/test_files/bulk_modulus_wf/2/inputs/INCAR
atomate/vasp/test_files/bulk_modulus_wf/2/inputs/KPOINTS
atomate/vasp/test_files/bulk_modulus_wf/2/inputs/POSCAR
atomate/vasp/test_files/bulk_modulus_wf/2/inputs/POTCAR
atomate/vasp/test_files/bulk_modulus_wf/2/outputs/CONTCAR
atomate/vasp/test_files/bulk_modulus_wf/2/outputs/OUTCAR.gz
atomate/vasp/test_files/bulk_modulus_wf/2/outputs/vasprun.xml.gz
atomate/vasp/test_files/bulk_modulus_wf/3/task.json
atomate/vasp/test_files/bulk_modulus_wf/4/task.json
atomate/vasp/test_files/bulk_modulus_wf/5/task.json
atomate/vasp/test_files/bulk_modulus_wf/6/inputs/INCAR
atomate/vasp/test_files/bulk_modulus_wf/6/inputs/KPOINTS
atomate/vasp/test_files/bulk_modulus_wf/6/inputs/POSCAR
atomate/vasp/test_files/bulk_modulus_wf/6/inputs/POTCAR
atomate/vasp/test_files/bulk_modulus_wf/6/outputs/CONTCAR
atomate/vasp/test_files/bulk_modulus_wf/6/outputs/OUTCAR.gz
atomate/vasp/test_files/bulk_modulus_wf/6/outputs/vasprun.xml.gz
atomate/vasp/test_files/bulk_modulus_wf/7/task.json
atomate/vasp/test_files/elastic_wf/1/inputs/INCAR
atomate/vasp/test_files/elastic_wf/1/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/1/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/1/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/1/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/1/outputs/INCAR
atomate/vasp/test_files/elastic_wf/1/outputs/KPOINTS
atomate/vasp/test_files/elastic_wf/1/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/1/outputs/POSCAR
atomate/vasp/test_files/elastic_wf/1/outputs/POTCAR
atomate/vasp/test_files/elastic_wf/1/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/2/inputs/INCAR
atomate/vasp/test_files/elastic_wf/2/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/2/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/2/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/2/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/2/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/2/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/3/inputs/INCAR
atomate/vasp/test_files/elastic_wf/3/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/3/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/3/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/3/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/3/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/3/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/4/inputs/INCAR
atomate/vasp/test_files/elastic_wf/4/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/4/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/4/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/4/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/4/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/4/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/5/inputs/INCAR
atomate/vasp/test_files/elastic_wf/5/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/5/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/5/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/5/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/5/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/5/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/6/inputs/INCAR
atomate/vasp/test_files/elastic_wf/6/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/6/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/6/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/6/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/6/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/6/outputs/vasprun.xml.gz
atomate/vasp/test_files/elastic_wf/7/inputs/INCAR
atomate/vasp/test_files/elastic_wf/7/inputs/KPOINTS
atomate/vasp/test_files/elastic_wf/7/inputs/POSCAR
atomate/vasp/test_files/elastic_wf/7/inputs/POTCAR
atomate/vasp/test_files/elastic_wf/7/outputs/CONTCAR
atomate/vasp/test_files/elastic_wf/7/outputs/OUTCAR.gz
atomate/vasp/test_files/elastic_wf/7/outputs/vasprun.xml.gz
atomate/vasp/test_files/neb_wf/1/inputs/INCAR
atomate/vasp/test_files/neb_wf/1/inputs/KPOINTS
atomate/vasp/test_files/neb_wf/1/inputs/POSCAR
atomate/vasp/test_files/neb_wf/1/inputs/POTCAR
atomate/vasp/test_files/neb_wf/1/outputs/CONTCAR
atomate/vasp/test_files/neb_wf/1/outputs/IBZKPT
atomate/vasp/test_files/neb_wf/1/outputs/INCAR
atomate/vasp/test_files/neb_wf/1/outputs/KPOINTS
atomate/vasp/test_files/neb_wf/1/outputs/OSZICAR
atomate/vasp/test_files/neb_wf/1/outputs/OUTCAR
atomate/vasp/test_files/neb_wf/1/outputs/PCDAT
atomate/vasp/test_files/neb_wf/1/outputs/POSCAR
atomate/vasp/test_files/neb_wf/1/outputs/POTCAR
atomate/vasp/test_files/neb_wf/1/outputs/REPORT
atomate/vasp/test_files/neb_wf/1/outputs/err
atomate/vasp/test_files/neb_wf/1/outputs/vasp.out
atomate/vasp/test_files/neb_wf/1/outputs/vasprun.xml
atomate/vasp/test_files/neb_wf/2/inputs/INCAR
atomate/vasp/test_files/neb_wf/2/inputs/KPOINTS
atomate/vasp/test_files/neb_wf/2/inputs/POSCAR
atomate/vasp/test_files/neb_wf/2/inputs/POTCAR
atomate/vasp/test_files/neb_wf/2/outputs/CONTCAR
atomate/vasp/test_files/neb_wf/2/outputs/EIGENVAL
atomate/vasp/test_files/neb_wf/2/outputs/IBZKPT
atomate/vasp/test_files/neb_wf/2/outputs/INCAR
atomate/vasp/test_files/neb_wf/2/outputs/KPOINTS
atomate/vasp/test_files/neb_wf/2/outputs/OSZICAR
atomate/vasp/test_files/neb_wf/2/outputs/OUTCAR
atomate/vasp/test_files/neb_wf/2/outputs/PCDAT
atomate/vasp/test_files/neb_wf/2/outputs/POSCAR
atomate/vasp/test_files/neb_wf/2/outputs/POTCAR
atomate/vasp/test_files/neb_wf/2/outputs/REPORT
atomate/vasp/test_files/neb_wf/2/outputs/err
atomate/vasp/test_files/neb_wf/2/outputs/vasp.out
atomate/vasp/test_files/neb_wf/2/outputs/vasprun.xml
atomate/vasp/test_files/neb_wf/3/inputs/INCAR
atomate/vasp/test_files/neb_wf/3/inputs/KPOINTS
atomate/vasp/test_files/neb_wf/3/inputs/POSCAR
atomate/vasp/test_files/neb_wf/3/inputs/POTCAR
atomate/vasp/test_files/neb_wf/3/outputs/CONTCAR
atomate/vasp/test_files/neb_wf/3/outputs/EIGENVAL
atomate/vasp/test_files/neb_wf/3/outputs/IBZKPT
atomate/vasp/test_files/neb_wf/3/outputs/INCAR
atomate/vasp/test_files/neb_wf/3/outputs/KPOINTS
atomate/vasp/test_files/neb_wf/3/outputs/OSZICAR
atomate/vasp/test_files/neb_wf/3/outputs/OUTCAR
atomate/vasp/test_files/neb_wf/3/outputs/PCDAT
atomate/vasp/test_files/neb_wf/3/outputs/POSCAR
atomate/vasp/test_files/neb_wf/3/outputs/POTCAR
atomate/vasp/test_files/neb_wf/3/outputs/REPORT
atomate/vasp/test_files/neb_wf/3/outputs/err
atomate/vasp/test_files/neb_wf/3/outputs/vasp.out
atomate/vasp/test_files/neb_wf/3/outputs/vasprun.xml
atomate/vasp/test_files/neb_wf/4/inputs/INCAR
atomate/vasp/test_files/neb_wf/4/inputs/KPOINTS
atomate/vasp/test_files/neb_wf/4/inputs/POTCAR
atomate/vasp/test_files/neb_wf/4/inputs/00/POSCAR
atomate/vasp/test_files/neb_wf/4/inputs/01/POSCAR
atomate/vasp/test_files/neb_wf/4/inputs/02/POSCAR
atomate/vasp/test_files/neb_wf/4/inputs/03/POSCAR
atomate/vasp/test_files/neb_wf/4/inputs/04/POSCAR
atomate/vasp/test_files/neb_wf/4/outputs/INCAR
atomate/vasp/test_files/neb_wf/4/outputs/KPOINTS
atomate/vasp/test_files/neb_wf/4/outputs/POTCAR
atomate/vasp/test_files/neb_wf/4/outputs/log
atomate/vasp/test_files/neb_wf/4/outputs/vasp.out
atomate/vasp/test_files/neb_wf/4/outputs/vasprun.xml
atomate/vasp/test_files/neb_wf/4/outputs/00/POSCAR
atomate/vasp/test_files/neb_wf/4/outputs/01/CONTCAR
atomate/vasp/test_files/neb_wf/4/outputs/01/IBZKPT
atomate/vasp/test_files/neb_wf/4/outputs/01/OSZICAR
atomate/vasp/test_files/neb_wf/4/outputs/01/OUTCAR
atomate/vasp/test_files/neb_wf/4/outputs/01/PCDAT
atomate/vasp/test_files/neb_wf/4/outputs/01/POSCAR
atomate/vasp/test_files/neb_wf/4/outputs/01/REPORT
atomate/vasp/test_files/neb_wf/4/outputs/01/stdout
atomate/vasp/test_files/neb_wf/4/outputs/02/CONTCAR
atomate/vasp/test_files/neb_wf/4/outputs/02/IBZKPT
atomate/vasp/test_files/neb_wf/4/outputs/02/OSZICAR
atomate/vasp/test_files/neb_wf/4/outputs/02/OUTCAR
atomate/vasp/test_files/neb_wf/4/outputs/02/PCDAT
atomate/vasp/test_files/neb_wf/4/outputs/02/POSCAR
atomate/vasp/test_files/neb_wf/4/outputs/02/REPORT
atomate/vasp/test_files/neb_wf/4/outputs/02/stdout
atomate/vasp/test_files/neb_wf/4/outputs/03/CONTCAR
atomate/vasp/test_files/neb_wf/4/outputs/03/IBZKPT
atomate/vasp/test_files/neb_wf/4/outputs/03/OSZICAR
atomate/vasp/test_files/neb_wf/4/outputs/03/OUTCAR
atomate/vasp/test_files/neb_wf/4/outputs/03/PCDAT
atomate/vasp/test_files/neb_wf/4/outputs/03/POSCAR
atomate/vasp/test_files/neb_wf/4/outputs/03/REPORT
atomate/vasp/test_files/neb_wf/4/outputs/03/stdout
atomate/vasp/test_files/neb_wf/4/outputs/04/POSCAR
atomate/vasp/test_files/neb_wf/5/inputs/INCAR
atomate/vasp/test_files/neb_wf/5/inputs/KPOINTS
atomate/vasp/test_files/neb_wf/5/inputs/POTCAR
atomate/vasp/test_files/neb_wf/5/inputs/00/POSCAR
atomate/vasp/test_files/neb_wf/5/inputs/01/POSCAR
atomate/vasp/test_files/neb_wf/5/inputs/02/POSCAR
atomate/vasp/test_files/neb_wf/5/inputs/03/POSCAR
atomate/vasp/test_files/neb_wf/5/inputs/04/POSCAR
atomate/vasp/test_files/neb_wf/5/outputs/INCAR
atomate/vasp/test_files/neb_wf/5/outputs/KPOINTS
atomate/vasp/test_files/neb_wf/5/outputs/POTCAR
atomate/vasp/test_files/neb_wf/5/outputs/log
atomate/vasp/test_files/neb_wf/5/outputs/vasp.out
atomate/vasp/test_files/neb_wf/5/outputs/vasprun.xml
atomate/vasp/test_files/neb_wf/5/outputs/00/POSCAR
atomate/vasp/test_files/neb_wf/5/outputs/01/CONTCAR
atomate/vasp/test_files/neb_wf/5/outputs/01/IBZKPT
atomate/vasp/test_files/neb_wf/5/outputs/01/OSZICAR
atomate/vasp/test_files/neb_wf/5/outputs/01/OUTCAR
atomate/vasp/test_files/neb_wf/5/outputs/01/PCDAT
atomate/vasp/test_files/neb_wf/5/outputs/01/POSCAR
atomate/vasp/test_files/neb_wf/5/outputs/01/REPORT
atomate/vasp/test_files/neb_wf/5/outputs/01/stdout
atomate/vasp/test_files/neb_wf/5/outputs/02/CONTCAR
atomate/vasp/test_files/neb_wf/5/outputs/02/IBZKPT
atomate/vasp/test_files/neb_wf/5/outputs/02/OSZICAR
atomate/vasp/test_files/neb_wf/5/outputs/02/OUTCAR
atomate/vasp/test_files/neb_wf/5/outputs/02/PCDAT
atomate/vasp/test_files/neb_wf/5/outputs/02/POSCAR
atomate/vasp/test_files/neb_wf/5/outputs/02/REPORT
atomate/vasp/test_files/neb_wf/5/outputs/02/stdout
atomate/vasp/test_files/neb_wf/5/outputs/03/CONTCAR
atomate/vasp/test_files/neb_wf/5/outputs/03/IBZKPT
atomate/vasp/test_files/neb_wf/5/outputs/03/OSZICAR
atomate/vasp/test_files/neb_wf/5/outputs/03/OUTCAR
atomate/vasp/test_files/neb_wf/5/outputs/03/PCDAT
atomate/vasp/test_files/neb_wf/5/outputs/03/POSCAR
atomate/vasp/test_files/neb_wf/5/outputs/03/REPORT
atomate/vasp/test_files/neb_wf/5/outputs/03/stdout
atomate/vasp/test_files/neb_wf/5/outputs/04/POSCAR
atomate/vasp/test_files/neb_wf/config/neb_unittest.yaml
atomate/vasp/test_files/preserve_incar/INCAR
atomate/vasp/test_files/preserve_incar/INCAR_inverted
atomate/vasp/test_files/preserve_incar/KPOINTS
atomate/vasp/test_files/preserve_incar/POSCAR
atomate/vasp/test_files/preserve_incar/POSCAR_inverted
atomate/vasp/test_files/preserve_incar/POSCAR_primitive
atomate/vasp/test_files/preserve_incar/POTCAR
atomate/vasp/test_files/raman_wf/1/inputs/INCAR
atomate/vasp/test_files/raman_wf/1/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/1/inputs/POSCAR
atomate/vasp/test_files/raman_wf/1/inputs/POTCAR
atomate/vasp/test_files/raman_wf/1/outputs/CHGCAR
atomate/vasp/test_files/raman_wf/1/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/1/outputs/INCAR
atomate/vasp/test_files/raman_wf/1/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/1/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/1/outputs/POSCAR
atomate/vasp/test_files/raman_wf/1/outputs/POTCAR
atomate/vasp/test_files/raman_wf/1/outputs/vasprun.xml.gz
atomate/vasp/test_files/raman_wf/2/inputs/INCAR
atomate/vasp/test_files/raman_wf/2/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/2/inputs/POSCAR
atomate/vasp/test_files/raman_wf/2/inputs/POTCAR
atomate/vasp/test_files/raman_wf/2/outputs/CHGCAR
atomate/vasp/test_files/raman_wf/2/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/2/outputs/INCAR
atomate/vasp/test_files/raman_wf/2/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/2/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/2/outputs/POSCAR
atomate/vasp/test_files/raman_wf/2/outputs/POTCAR
atomate/vasp/test_files/raman_wf/2/outputs/vasprun.xml.gz
atomate/vasp/test_files/raman_wf/3/inputs/INCAR
atomate/vasp/test_files/raman_wf/3/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/3/inputs/POSCAR
atomate/vasp/test_files/raman_wf/3/inputs/POTCAR
atomate/vasp/test_files/raman_wf/3/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/3/outputs/INCAR
atomate/vasp/test_files/raman_wf/3/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/3/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/3/outputs/POSCAR
atomate/vasp/test_files/raman_wf/3/outputs/POTCAR
atomate/vasp/test_files/raman_wf/3/outputs/vasprun.xml.gz
atomate/vasp/test_files/raman_wf/4/inputs/INCAR
atomate/vasp/test_files/raman_wf/4/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/4/inputs/POSCAR
atomate/vasp/test_files/raman_wf/4/inputs/POTCAR
atomate/vasp/test_files/raman_wf/4/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/4/outputs/INCAR
atomate/vasp/test_files/raman_wf/4/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/4/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/4/outputs/POSCAR
atomate/vasp/test_files/raman_wf/4/outputs/POTCAR
atomate/vasp/test_files/raman_wf/4/outputs/vasprun.xml.gz
atomate/vasp/test_files/raman_wf/5/inputs/INCAR
atomate/vasp/test_files/raman_wf/5/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/5/inputs/POSCAR
atomate/vasp/test_files/raman_wf/5/inputs/POTCAR
atomate/vasp/test_files/raman_wf/5/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/5/outputs/INCAR
atomate/vasp/test_files/raman_wf/5/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/5/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/5/outputs/POSCAR
atomate/vasp/test_files/raman_wf/5/outputs/POTCAR
atomate/vasp/test_files/raman_wf/5/outputs/vasprun.xml.gz
atomate/vasp/test_files/raman_wf/6/inputs/INCAR
atomate/vasp/test_files/raman_wf/6/inputs/KPOINTS
atomate/vasp/test_files/raman_wf/6/inputs/POSCAR
atomate/vasp/test_files/raman_wf/6/inputs/POTCAR
atomate/vasp/test_files/raman_wf/6/outputs/CONTCAR
atomate/vasp/test_files/raman_wf/6/outputs/INCAR
atomate/vasp/test_files/raman_wf/6/outputs/KPOINTS
atomate/vasp/test_files/raman_wf/6/outputs/OUTCAR.gz
atomate/vasp/test_files/raman_wf/6/outputs/POSCAR
atomate/vasp/test_files/raman_wf/6/outputs/POTCAR
atomate/vasp/test_files/raman_wf/6/outputs/vasprun.xml.gz
atomate/vasp/test_files/setup_test/INCAR
atomate/vasp/test_files/setup_test/KPOINTS
atomate/vasp/test_files/setup_test/POSCAR
atomate/vasp/test_files/setup_test/POTCAR
atomate/vasp/workflows/__init__.py
atomate/vasp/workflows/base/__init__.py
atomate/vasp/workflows/base/adsorption.py
atomate/vasp/workflows/base/bulk_modulus.py
atomate/vasp/workflows/base/core.py
atomate/vasp/workflows/base/deformations.py
atomate/vasp/workflows/base/elastic.py
atomate/vasp/workflows/base/gibbs.py
atomate/vasp/workflows/base/neb.py
atomate/vasp/workflows/base/raman.py
atomate/vasp/workflows/base/thermal_expansion.py
atomate/vasp/workflows/base/library/README.md
atomate/vasp/workflows/base/library/bandstructure.yaml
atomate/vasp/workflows/base/library/bandstructure_boltztrap.yaml
atomate/vasp/workflows/base/library/bandstructure_hse.yaml
atomate/vasp/workflows/base/library/bandstructure_hsegap.yaml
atomate/vasp/workflows/base/library/dielectric_constant.yaml
atomate/vasp/workflows/base/library/dielectric_constant_no_opt.yaml
atomate/vasp/workflows/base/library/neb.yaml
atomate/vasp/workflows/base/library/optimize_only.yaml
atomate/vasp/workflows/base/library/piezoelectric_constant.yaml
atomate/vasp/workflows/base/library/spinorbit_coupling.yaml
atomate/vasp/workflows/base/library/static_only.yaml
atomate/vasp/workflows/base/library/transmuter.yaml
atomate/vasp/workflows/presets/__init__.py
atomate/vasp/workflows/presets/core.py
docs/.DS_Store
docs/Makefile
docs/atomate.common.firetasks.rst
docs/atomate.common.firetasks.tests.rst
docs/atomate.common.rst
docs/atomate.feff.firetasks.rst
docs/atomate.feff.firetasks.tests.rst
docs/atomate.feff.fireworks.rst
docs/atomate.feff.fireworks.tests.rst
docs/atomate.feff.rst
docs/atomate.feff.workflows.rst
docs/atomate.feff.workflows.tests.rst
docs/atomate.lammps.firetasks.rst
docs/atomate.lammps.rst
docs/atomate.lammps.workflows.rst
docs/atomate.rst
docs/atomate.tools.post_process.rst
docs/atomate.tools.rst
docs/atomate.tools.tests.rst
docs/atomate.utils.rst
docs/atomate.utils.tests.rst
docs/atomate.vasp.analysis.rst
docs/atomate.vasp.builders.rst
docs/atomate.vasp.examples.rst
docs/atomate.vasp.firetasks.rst
docs/atomate.vasp.firetasks.tests.rst
docs/atomate.vasp.fireworks.rst
docs/atomate.vasp.rst
docs/atomate.vasp.tests.rst
docs/atomate.vasp.workflows.base.rst
docs/atomate.vasp.workflows.presets.rst
docs/atomate.vasp.workflows.rst
docs/atomate.vasp.workflows.tests.rst
docs/changelog.rst
docs/concepts.rst
docs/conf.py
docs/contributors.rst
docs/creating_workflows.rst
docs/customizing_workflows.rst
docs/index.rst
docs/installation.rst
docs/license.rst
docs/modules.rst
docs/running_workflows.rst
docs/workflow_yaml_reference.rst
docs/_build/doctrees/atomate.common.doctree
docs/_build/doctrees/atomate.common.firetasks.doctree
docs/_build/doctrees/atomate.common.firetasks.tests.doctree
docs/_build/doctrees/atomate.doctree
docs/_build/doctrees/atomate.feff.doctree
docs/_build/doctrees/atomate.feff.firetasks.doctree
docs/_build/doctrees/atomate.feff.firetasks.tests.doctree
docs/_build/doctrees/atomate.feff.fireworks.doctree
docs/_build/doctrees/atomate.feff.fireworks.tests.doctree
docs/_build/doctrees/atomate.feff.workflows.doctree
docs/_build/doctrees/atomate.feff.workflows.tests.doctree
docs/_build/doctrees/atomate.lammps.doctree
docs/_build/doctrees/atomate.lammps.firetasks.doctree
docs/_build/doctrees/atomate.lammps.workflows.doctree
docs/_build/doctrees/atomate.tools.doctree
docs/_build/doctrees/atomate.tools.post_process.doctree
docs/_build/doctrees/atomate.tools.tests.doctree
docs/_build/doctrees/atomate.utils.doctree
docs/_build/doctrees/atomate.utils.tests.doctree
docs/_build/doctrees/atomate.vasp.analysis.doctree
docs/_build/doctrees/atomate.vasp.builders.doctree
docs/_build/doctrees/atomate.vasp.doctree
docs/_build/doctrees/atomate.vasp.examples.doctree
docs/_build/doctrees/atomate.vasp.firetasks.doctree
docs/_build/doctrees/atomate.vasp.firetasks.tests.doctree
docs/_build/doctrees/atomate.vasp.fireworks.doctree
docs/_build/doctrees/atomate.vasp.tests.doctree
docs/_build/doctrees/atomate.vasp.workflows.base.doctree
docs/_build/doctrees/atomate.vasp.workflows.doctree
docs/_build/doctrees/atomate.vasp.workflows.presets.doctree
docs/_build/doctrees/atomate.vasp.workflows.tests.doctree
docs/_build/doctrees/changelog.doctree
docs/_build/doctrees/concepts.doctree
docs/_build/doctrees/contributors.doctree
docs/_build/doctrees/creating_workflows.doctree
docs/_build/doctrees/customizing_workflows.doctree
docs/_build/doctrees/environment.pickle
docs/_build/doctrees/index.doctree
docs/_build/doctrees/installation.doctree
docs/_build/doctrees/license.doctree
docs/_build/doctrees/modules.doctree
docs/_build/doctrees/running_workflows.doctree
docs/_build/doctrees/workflow_yaml_reference.doctree
docs/_build/html/.buildinfo
docs/_build/html/atomate.common.firetasks.html
docs/_build/html/atomate.common.firetasks.tests.html
docs/_build/html/atomate.common.html
docs/_build/html/atomate.feff.firetasks.html
docs/_build/html/atomate.feff.firetasks.tests.html
docs/_build/html/atomate.feff.fireworks.html
docs/_build/html/atomate.feff.fireworks.tests.html
docs/_build/html/atomate.feff.html
docs/_build/html/atomate.feff.workflows.html
docs/_build/html/atomate.feff.workflows.tests.html
docs/_build/html/atomate.html
docs/_build/html/atomate.lammps.firetasks.html
docs/_build/html/atomate.lammps.html
docs/_build/html/atomate.lammps.workflows.html
docs/_build/html/atomate.tools.html
docs/_build/html/atomate.tools.post_process.html
docs/_build/html/atomate.tools.tests.html
docs/_build/html/atomate.utils.html
docs/_build/html/atomate.utils.tests.html
docs/_build/html/atomate.vasp.analysis.html
docs/_build/html/atomate.vasp.builders.html
docs/_build/html/atomate.vasp.examples.html
docs/_build/html/atomate.vasp.firetasks.html
docs/_build/html/atomate.vasp.firetasks.tests.html
docs/_build/html/atomate.vasp.fireworks.html
docs/_build/html/atomate.vasp.html
docs/_build/html/atomate.vasp.tests.html
docs/_build/html/atomate.vasp.workflows.base.html
docs/_build/html/atomate.vasp.workflows.html
docs/_build/html/atomate.vasp.workflows.presets.html
docs/_build/html/atomate.vasp.workflows.tests.html
docs/_build/html/changelog.html
docs/_build/html/concepts.html
docs/_build/html/contributors.html
docs/_build/html/creating_workflows.html
docs/_build/html/customizing_workflows.html
docs/_build/html/genindex.html
docs/_build/html/index.html
docs/_build/html/installation.html
docs/_build/html/license.html
docs/_build/html/modules.html
docs/_build/html/objects.inv
docs/_build/html/py-modindex.html
docs/_build/html/running_workflows.html
docs/_build/html/search.html
docs/_build/html/searchindex.js
docs/_build/html/workflow_yaml_reference.html
docs/_build/html/_images/atomate_logo_small.png
docs/_build/html/_images/bandstructure_wf.png
docs/_build/html/_images/bs_dos.png
docs/_build/html/_images/elastic_tensor.png
docs/_build/html/_images/eos_energy_volume.png
docs/_build/html/_images/example.png
docs/_build/html/_images/math/3e8656187474a3145c68b42dfc12efc5115aaa82.png
docs/_build/html/_images/math/88aec2489da0734cf63c2dd134a1f82301d7edac.png
docs/_build/html/_images/math/ed2a0cbdcad2bc864a89ae8e66bd25d60f55957d.png
docs/_build/html/_sources/atomate.common.firetasks.rst.txt
docs/_build/html/_sources/atomate.common.firetasks.tests.rst.txt
docs/_build/html/_sources/atomate.common.rst.txt
docs/_build/html/_sources/atomate.feff.firetasks.rst.txt
docs/_build/html/_sources/atomate.feff.firetasks.tests.rst.txt
docs/_build/html/_sources/atomate.feff.fireworks.rst.txt
docs/_build/html/_sources/atomate.feff.fireworks.tests.rst.txt
docs/_build/html/_sources/atomate.feff.rst.txt
docs/_build/html/_sources/atomate.feff.workflows.rst.txt
docs/_build/html/_sources/atomate.feff.workflows.tests.rst.txt
docs/_build/html/_sources/atomate.lammps.firetasks.rst.txt
docs/_build/html/_sources/atomate.lammps.rst.txt
docs/_build/html/_sources/atomate.lammps.workflows.rst.txt
docs/_build/html/_sources/atomate.rst.txt
docs/_build/html/_sources/atomate.tools.post_process.rst.txt
docs/_build/html/_sources/atomate.tools.rst.txt
docs/_build/html/_sources/atomate.tools.tests.rst.txt
docs/_build/html/_sources/atomate.utils.rst.txt
docs/_build/html/_sources/atomate.utils.tests.rst.txt
docs/_build/html/_sources/atomate.vasp.analysis.rst.txt
docs/_build/html/_sources/atomate.vasp.builders.rst.txt
docs/_build/html/_sources/atomate.vasp.examples.rst.txt
docs/_build/html/_sources/atomate.vasp.firetasks.rst.txt
docs/_build/html/_sources/atomate.vasp.firetasks.tests.rst.txt
docs/_build/html/_sources/atomate.vasp.fireworks.rst.txt
docs/_build/html/_sources/atomate.vasp.rst.txt
docs/_build/html/_sources/atomate.vasp.tests.rst.txt
docs/_build/html/_sources/atomate.vasp.workflows.base.rst.txt
docs/_build/html/_sources/atomate.vasp.workflows.presets.rst.txt
docs/_build/html/_sources/atomate.vasp.workflows.rst.txt
docs/_build/html/_sources/atomate.vasp.workflows.tests.rst.txt
docs/_build/html/_sources/changelog.rst.txt
docs/_build/html/_sources/concepts.rst.txt
docs/_build/html/_sources/contributors.rst.txt
docs/_build/html/_sources/creating_workflows.rst.txt
docs/_build/html/_sources/customizing_workflows.rst.txt
docs/_build/html/_sources/index.rst.txt
docs/_build/html/_sources/installation.rst.txt
docs/_build/html/_sources/license.rst.txt
docs/_build/html/_sources/modules.rst.txt
docs/_build/html/_sources/running_workflows.rst.txt
docs/_build/html/_sources/workflow_yaml_reference.rst.txt
docs/_build/html/_static/ajax-loader.gif
docs/_build/html/_static/atomate_logo_small.png
docs/_build/html/_static/bandstructure_wf.png
docs/_build/html/_static/basic.css
docs/_build/html/_static/bs_dos.png
docs/_build/html/_static/comment-bright.png
docs/_build/html/_static/comment-close.png
docs/_build/html/_static/comment.png
docs/_build/html/_static/doctools.js
docs/_build/html/_static/down-pressed.png
docs/_build/html/_static/down.png
docs/_build/html/_static/elastic_tensor.png
docs/_build/html/_static/elnes_k_exp_vs_feff.png
docs/_build/html/_static/eos_energy_volume.png
docs/_build/html/_static/example.png
docs/_build/html/_static/file.png
docs/_build/html/_static/jquery-3.1.0.js
docs/_build/html/_static/jquery.js
docs/_build/html/_static/matmethods_logo_small.jpg
docs/_build/html/_static/minus.png
docs/_build/html/_static/nature.css
docs/_build/html/_static/plus.png
docs/_build/html/_static/pygments.css
docs/_build/html/_static/searchtools.js
docs/_build/html/_static/underscore-1.3.1.js
docs/_build/html/_static/underscore.js
docs/_build/html/_static/up-pressed.png
docs/_build/html/_static/up.png
docs/_build/html/_static/websupport.js
docs/_static/.DS_Store
docs/_static/atomate_logo_small.png
docs/_static/bandstructure_wf.png
docs/_static/elastic_tensor.png
docs/_static/eos_energy_volume.png
docs/_static/example.png
docs/_static/nature.css
scripts/atwf