MANIFEST.in
README
setup.py
MAST/__init__.py
MAST.egg-info/PKG-INFO
MAST.egg-info/SOURCES.txt
MAST.egg-info/dependency_links.txt
MAST.egg-info/requires.txt
MAST.egg-info/top_level.txt
MAST/bin/__init__.py
MAST/bin/mast
MAST/bin/mast_defect_formation_energy
MAST/bin/mast_diffusion_coefficient
MAST/controllers/__init__.py
MAST/controllers/mast.py
MAST/controllers/mastmon.py
MAST/data/__init__.py
MAST/doc/__init__.py
MAST/doc/run_sphinx_apidoc.py
MAST/examples/POSCAR.ga4as4
MAST/examples/README
MAST/examples/defect_formation_energy.inp
MAST/examples/neb_with_phonons.inp
MAST/examples/scaling.inp
MAST/examples/simple_optimization.inp
MAST/examples/u_ramping.inp
MAST/ingredients/__init__.py
MAST/ingredients/baseingredient.py
MAST/ingredients/chopingredient.py
MAST/ingredients/checker/__init__.py
MAST/ingredients/checker/basechecker.py
MAST/ingredients/checker/genericchecker.py
MAST/ingredients/checker/lammpschecker.py
MAST/ingredients/checker/lammpschecker_v1.py
MAST/ingredients/checker/phonchecker.py
MAST/ingredients/checker/structoptchecker.py
MAST/ingredients/checker/vaspchecker.py
MAST/ingredients/checker/vaspnebchecker.py
MAST/ingredients/errorhandler/__init__.py
MAST/ingredients/errorhandler/baseerror.py
MAST/ingredients/errorhandler/genericerror.py
MAST/ingredients/errorhandler/masterrorhandlers.py
MAST/ingredients/errorhandler/mastvasperrorhandlers.py
MAST/ingredients/errorhandler/phonerror.py
MAST/ingredients/errorhandler/vasperror.py
MAST/ingredients/errorhandler/vaspneberror.py
MAST/ingredients/pmgextend/__init__.py
MAST/ingredients/pmgextend/procar_parse_occ.py
MAST/ingredients/pmgextend/procar_parse_occ_spin.py
MAST/ingredients/pmgextend/structure_extensions.py
MAST/ingredients/programkeys/README
MAST/ingredients/programkeys/__init__.py
MAST/ingredients/programkeys/__init__.pyc
MAST/ingredients/programkeys/diff_allowed_keywords.py
MAST/ingredients/programkeys/lammps_allowed_keywords.py
MAST/ingredients/programkeys/phon_allowed_keywords.py
MAST/ingredients/programkeys/structopt_allowed_keywords.py
MAST/ingredients/programkeys/vasp_allowed_keywords.py
MAST/initialization/README_Archive
MAST/initialization/README_Control
MAST/initialization/README_Scratch
MAST/initialization/just_submitted
MAST/initialization/submitlist
MAST/parsers/__init__.py
MAST/parsers/indeploopinputparser.py
MAST/parsers/inputparser.py
MAST/parsers/inputpythoncreator.py
MAST/parsers/recipetemplateparser.py
MAST/recipe/__init__.py
MAST/recipe/recipeplan.py
MAST/recipe/recipesetup.py
MAST/recipe/recipeutility.py
MAST/recipe_templates/defect_formation_energy.txt
MAST/recipe_templates/neb_with_phonons.txt
MAST/recipe_templates/scaling.txt
MAST/recipe_templates/simple_optimization.txt
MAST/recipe_templates/u_ramping.txt
MAST/structopt/Optimizer.py
MAST/structopt/__init__.py
MAST/structopt/crossover/CCP_Oct_Tet.py
MAST/structopt/crossover/__init__.py
MAST/structopt/crossover/clustbx.py
MAST/structopt/crossover/cxtp.py
MAST/structopt/crossover/cxtpa.py
MAST/structopt/crossover/cxtpc.py
MAST/structopt/crossover/newclus.py
MAST/structopt/crossover/randalloybox.py
MAST/structopt/crossover/rotct.py
MAST/structopt/crossover/rotct_defect.py
MAST/structopt/crossover/rotct_rand.py
MAST/structopt/crossover/rotct_rand_clus.py
MAST/structopt/crossover/rotct_rand_defect.py
MAST/structopt/fingerprinting/__init__.py
MAST/structopt/fingerprinting/dirac.py
MAST/structopt/fingerprinting/fingerprint_dist.py
MAST/structopt/fingerprinting/get_fingerprint.py
MAST/structopt/fitness/__init__.py
MAST/structopt/fitness/chempotswap.py
MAST/structopt/fitness/enpafit.py
MAST/structopt/fitness/enthalpyfit.py
MAST/structopt/fitness/exponentialfit.py
MAST/structopt/fitness/formationenergy.py
MAST/structopt/fitness/sibias.py
MAST/structopt/fitness/sibias2.py
MAST/structopt/fitness/stem_cost.py
MAST/structopt/fitness/stem_cost_rotation.py
MAST/structopt/fitness/surfaceenergy.py
MAST/structopt/fitness/totalenfit.py
MAST/structopt/generate/Individual.py
MAST/structopt/generate/__init__.py
MAST/structopt/generate/gen_pop_box.py
MAST/structopt/generate/gen_pop_plate.py
MAST/structopt/generate/gen_pop_sphere.py
MAST/structopt/generate/generate_dumbbells.py
MAST/structopt/generate/get_population.py
MAST/structopt/generate/get_restart_population.py
MAST/structopt/generate/crystal/__init__.py
MAST/structopt/generate/crystal/get_crystal_indiv.py
MAST/structopt/generate/crystal/get_crystal_restart_indiv.py
MAST/structopt/generate/defect/__init__.py
MAST/structopt/generate/defect/gen_solid.py
MAST/structopt/generate/defect/generate_dumbbells.py
MAST/structopt/generate/defect/get_defect_indiv.py
MAST/structopt/generate/defect/get_defect_indiv_random.py
MAST/structopt/generate/defect/get_defect_restart_indiv.py
MAST/structopt/generate/surface/__init__.py
MAST/structopt/generate/surface/get_surface_indiv.py
MAST/structopt/generate/surface/get_surface_restart_indiv.py
MAST/structopt/inp_out/__init__.py
MAST/structopt/inp_out/loggerUtils.py
MAST/structopt/inp_out/read_Ltraj_file.py
MAST/structopt/inp_out/read_individual.py
MAST/structopt/inp_out/read_parameter_input.py
MAST/structopt/inp_out/read_xyz.py
MAST/structopt/inp_out/restart_output.py
MAST/structopt/inp_out/setup_output.py
MAST/structopt/inp_out/setup_par_output.py
MAST/structopt/inp_out/write_individual.py
MAST/structopt/inp_out/write_lammps_data.py
MAST/structopt/inp_out/write_optimizer.py
MAST/structopt/inp_out/write_parameters.py
MAST/structopt/inp_out/write_pop.py
MAST/structopt/inp_out/write_xyz.py
MAST/structopt/moves/__init__.py
MAST/structopt/moves/ase_minimization.py
MAST/structopt/moves/atoms_add.py
MAST/structopt/moves/atoms_remove.py
MAST/structopt/moves/basin_hop_la.py
MAST/structopt/moves/basin_hop_permute.py
MAST/structopt/moves/basin_hop_ra_atoms.py
MAST/structopt/moves/basin_hop_rattle.py
MAST/structopt/moves/basin_hop_rotate.py
MAST/structopt/moves/cell_relax_lammps.py
MAST/structopt/moves/cell_shape.py
MAST/structopt/moves/fss_bcc.py
MAST/structopt/moves/lattice_alteration.py
MAST/structopt/moves/lattice_alteration_crystal.py
MAST/structopt/moves/lattice_alteration_group.py
MAST/structopt/moves/lattice_alteration_nn.py
MAST/structopt/moves/lattice_alteration_rdrd.py
MAST/structopt/moves/lattice_alteration_small.py
MAST/structopt/moves/move_la.py
MAST/structopt/moves/permutation.py
MAST/structopt/moves/permutation_bulk.py
MAST/structopt/moves/permutation_crystal.py
MAST/structopt/moves/permutation_crystal_multi.py
MAST/structopt/moves/quench.py
MAST/structopt/moves/quench1.py
MAST/structopt/moves/random_replacement.py
MAST/structopt/moves/rattle.py
MAST/structopt/moves/rotation.py
MAST/structopt/moves/rotation_geo.py
MAST/structopt/moves/scale_size.py
MAST/structopt/moves/swap.py
MAST/structopt/moves/swap_int.py
MAST/structopt/moves/swap_int_local.py
MAST/structopt/moves/swap_vacancy.py
MAST/structopt/moves/zp_rotation.py
MAST/structopt/moves/zp_rotation_fixed.py
MAST/structopt/post_processing/__init__.py
MAST/structopt/post_processing/finite_size_scale.py
MAST/structopt/post_processing/get_lattice_concentration.py
MAST/structopt/post_processing/read_genealogy.py
MAST/structopt/post_processing/read_ouput.py
MAST/structopt/post_processing/view.py
MAST/structopt/predator/__init__.py
MAST/structopt/predator/adapting.py
MAST/structopt/predator/energy_cluster.py
MAST/structopt/predator/fingerprint_niche.py
MAST/structopt/predator/fitpred.py
MAST/structopt/predator/fitpred_bests.py
MAST/structopt/predator/fitpred_new.py
MAST/structopt/predator/mutation_dups.py
MAST/structopt/predator/mutation_dups_adapt_stem.py
MAST/structopt/predator/mutation_dups_energy.py
MAST/structopt/predator/mutation_dups_quench.py
MAST/structopt/predator/mutation_dups_zp.py
MAST/structopt/selection/__init__.py
MAST/structopt/selection/best.py
MAST/structopt/selection/cost.py
MAST/structopt/selection/fuss.py
MAST/structopt/selection/fuss1.py
MAST/structopt/selection/fuss1r.py
MAST/structopt/selection/fuss2.py
MAST/structopt/selection/fussf.py
MAST/structopt/selection/fussr.py
MAST/structopt/selection/metropolis.py
MAST/structopt/selection/multitournament.py
MAST/structopt/selection/random_pick.py
MAST/structopt/selection/rank.py
MAST/structopt/selection/tournament.py
MAST/structopt/selection/tournament1.py
MAST/structopt/selection/tournament2.py
MAST/structopt/switches/__init__.py
MAST/structopt/switches/crossover_switch.py
MAST/structopt/switches/fitness_switch.py
MAST/structopt/switches/lambdacommamu.py
MAST/structopt/switches/moves_switch.py
MAST/structopt/switches/predator_switch.py
MAST/structopt/switches/selection_switch.py
MAST/structopt/tools/BestInds.py
MAST/structopt/tools/StemCalc.py
MAST/structopt/tools/__init__.py
MAST/structopt/tools/calc_dist.py
MAST/structopt/tools/check_atomlist_concentration.py
MAST/structopt/tools/check_cell_type.py
MAST/structopt/tools/convert_time.py
MAST/structopt/tools/eval_energy.py
MAST/structopt/tools/eval_energy2.py
MAST/structopt/tools/find_defects.py
MAST/structopt/tools/find_top_layer.py
MAST/structopt/tools/get_best.py
MAST/structopt/tools/lammps.py
MAST/structopt/tools/position_average.py
MAST/structopt/tools/rattle.py
MAST/structopt/tools/remove_duplicates.py
MAST/structopt/tools/setup_calculator.py
MAST/structopt/tools/setup_fixed_region_calculator.py
MAST/structopt/tools/shift_atoms.py
MAST/submit/__init__.py
MAST/submit/queue_commands.py
MAST/submit/runmast.py
MAST/submit/script_commands.py
MAST/submit/platforms/__init__.py
MAST/submit/platforms/__init__.pyc
MAST/submit/platforms/aci/__init__.py
MAST/submit/platforms/aci/__init__.pyc
MAST/submit/platforms/aci/mastmon_submit.sh
MAST/submit/platforms/aci/queue_commands.py
MAST/submit/platforms/aci/submit_template.sh
MAST/submit/platforms/bardeen/__init__.py
MAST/submit/platforms/bardeen/__init__.pyc
MAST/submit/platforms/bardeen/mastmon_submit.sh
MAST/submit/platforms/bardeen/queue_commands.py
MAST/submit/platforms/bardeen/submit_template.sh
MAST/submit/platforms/dlx/__init__.py
MAST/submit/platforms/dlx/__init__.pyc
MAST/submit/platforms/dlx/mastmon_submit.sh
MAST/submit/platforms/dlx/queue_commands.py
MAST/submit/platforms/dlx/submit_template.sh
MAST/submit/platforms/korczak/__init__.py
MAST/submit/platforms/korczak/__init__.pyc
MAST/submit/platforms/korczak/mastmon_submit.sh
MAST/submit/platforms/korczak/queue_commands.py
MAST/submit/platforms/korczak/queue_commands.pyc
MAST/submit/platforms/korczak/submit_template.sh
MAST/submit/platforms/no_queue_system/__init__.py
MAST/submit/platforms/no_queue_system/__init__.pyc
MAST/submit/platforms/no_queue_system/mastmon_submit.sh
MAST/submit/platforms/no_queue_system/queue_commands.py
MAST/submit/platforms/no_queue_system/submit_template.sh
MAST/submit/platforms/pbs_generic/__init__.py
MAST/submit/platforms/pbs_generic/__init__.pyc
MAST/submit/platforms/pbs_generic/mastmon_submit.sh
MAST/submit/platforms/pbs_generic/queue_commands.py
MAST/submit/platforms/pbs_generic/submit_template.sh
MAST/submit/platforms/sge_generic/__init__.py
MAST/submit/platforms/sge_generic/__init__.pyc
MAST/submit/platforms/sge_generic/mastmon_submit.sh
MAST/submit/platforms/sge_generic/queue_commands.py
MAST/submit/platforms/sge_generic/submit_template.sh
MAST/submit/platforms/slurm_generic/__init__.py
MAST/submit/platforms/slurm_generic/__init__.pyc
MAST/submit/platforms/slurm_generic/mastmon_submit.sh
MAST/submit/platforms/slurm_generic/queue_commands.py
MAST/submit/platforms/slurm_generic/submit_template.sh
MAST/submit/platforms/stampede/__init__.py
MAST/submit/platforms/stampede/__init__.pyc
MAST/submit/platforms/stampede/mastmon_submit.sh
MAST/submit/platforms/stampede/queue_commands.py
MAST/submit/platforms/stampede/submit_template.sh
MAST/submit/platforms/turnbull/__init__.py
MAST/submit/platforms/turnbull/__init__.pyc
MAST/submit/platforms/turnbull/mastmon_submit.sh
MAST/submit/platforms/turnbull/queue_commands.py
MAST/submit/platforms/turnbull/submit_template.sh
MAST/summary/__init__.py
MAST/summary/citations.py
MAST/summary/energy.py
MAST/summary/lattice.py
MAST/summary/pressure.py
MAST/summary/uvalue.py
MAST/summary/volume.py
MAST/summary/citations/mast_01
MAST/summary/citations/mast_02
MAST/summary/citations/pymatgen_01
MAST/summary/citations/spglib_01
MAST/summary/citations/structopt_01
MAST/summary/citations/vasp_01
MAST/summary/citations/vasp_02
MAST/summary/citations/vasp_03
MAST/summary/citations/vasp_04
MAST/summary/citations/vasp_paw_01
MAST/summary/citations/vasp_pps_01
MAST/summary/citations/vaspneb_01
MAST/summary/citations/vaspneb_02
MAST/summary/citations/vaspneb_03
MAST/summary/citations/vaspneb_04
MAST/summary/citations/vaspneb_05
MAST/summary/citations/vaspneb_06
MAST/test/__init__.py
MAST/test/supercell.py
MAST/test/checker_test_base/__init__.py
MAST/test/checker_test_base/test_basechecker.py
MAST/test/checker_test_vasp/__init__.py
MAST/test/checker_test_vasp/test_vaspchecker.py
MAST/test/checker_test_vaspneb/__init__.py
MAST/test/checker_test_vaspneb/test_vaspnebchecker.py
MAST/test/chop_test_complete/__init__.py
MAST/test/chop_test_complete/test_completeingredient.py
MAST/test/chop_test_ready/__init__.py
MAST/test/chop_test_ready/test_readyingredient.py
MAST/test/chop_test_run/__init__.py
MAST/test/chop_test_run/test_runingredient.py
MAST/test/chop_test_update/__init__.py
MAST/test/chop_test_update/test_updateingredient.py
MAST/test/chop_test_write/__init__.py
MAST/test/chop_test_write/test_writeingredient.py
MAST/test/custom_test/__init__.py
MAST/test/defect_formation_energy_test/__init__.py
MAST/test/defect_formation_energy_test/test_defectformationenergy.py
MAST/test/fss_simple_test/__init__.py
MAST/test/gatest/__init__.py
MAST/test/gatest/fake_vasp.py
MAST/test/inputparser_test/__init__.py
MAST/test/inputparser_test/oldinputtest.py
MAST/test/inputparser_test/test_inputparser.py
MAST/test/lammpstest/__init__.py
MAST/test/mast_test/__init__.py
MAST/test/mast_test/test_mast.py
MAST/test/optimize_vasp_custom_test/__init__.py
MAST/test/optimize_workflow_test/__init__.py
MAST/test/phononreorgtest/__init__.py
MAST/test/recipeparser_test/__init__.py
MAST/test/recipeparser_test/test_recipetemplateparser.py
MAST/test/recipeplan_test/__init__.py
MAST/test/recipeplan_test/test_recipeplan.py
MAST/test/recipesetup_test/__init__.py
MAST/test/recipesetup_test/test_recipesetup.py
MAST/test/recipeutility_test/__init__.py
MAST/test/recipeutility_test/test_recipeutility.py
MAST/test/structure_extensions_test/__init__.py
MAST/test/structure_extensions_test/test_structure_extensions.py
MAST/utility/DiffusionCoefficient.py
MAST/utility/NEBcheck.py
MAST/utility/__init__.py
MAST/utility/create_paths.py
MAST/utility/dirutil.py
MAST/utility/entropy_calc.py
MAST/utility/fileutil.py
MAST/utility/inputoptions.py
MAST/utility/loggerutils.py
MAST/utility/masterror.py
MAST/utility/mastfile.py
MAST/utility/mastobj.py
MAST/utility/metadata.py
MAST/utility/number_me.py
MAST/utility/quaternary_pd_decomp.py
MAST/utility/defect_formation_energy/__init__.py
MAST/utility/defect_formation_energy/defectformationenergy.py
MAST/utility/defect_formation_energy/dfe_ingredient.py
MAST/utility/defect_formation_energy/gapplot.py
MAST/utility/defect_formation_energy/potential_alignment.py
MAST/utility/finite_size_scaling/EneVsVm.py
MAST/utility/finite_size_scaling/GenSC.py
MAST/utility/finite_size_scaling/__init__.py
MAST/utility/finite_size_scaling/embed.py
MAST/utility/finite_size_scaling/fss.py
MAST/utility/finite_size_scaling/uniformPick.py