pydmclab/core/README.md,sha256=Z5P1vnx2vQ9iG86_y5rxflCZLFOgPZHJX1er62SUr74,398
pydmclab/core/__init__.py,sha256=XtF_ly7c7XVWB6DQ47CaoyFA8u_0Zc6rLmwY_TbkwCo,756
pydmclab/core/alloys.py,sha256=QIpdvKNDEUdR11-hSp4vtfwm_pKvsbB8lOsKimOxesA,41254
pydmclab/core/comp.py,sha256=jbfyZ503mKU9GZ-nVdb7qS2ktGxVD-rQBX3XxMF6qKo,4582
pydmclab/core/defects.py,sha256=KWGSB0a75yNnbdaSX_vojhUIcHwKcwhNUJAs2naXQCs,4122
pydmclab/core/energies.py,sha256=os90cBj2tTTZjBhv927yk7GNgRS0yJYOPxoFGVG8BS8,35106
pydmclab/core/hulls.py,sha256=ne-B5DeHJM8eYhUGHsL-C_gmwXAUAMpNtdgHDBU5MZ4,52185
pydmclab/core/mag.py,sha256=edoZK86bVlSKz3OdGpEs1zHF72vvl1qqbaMCIztCiTg,13295
pydmclab/core/query.py,sha256=0RAsnBmLXycgysVoW4DR_bpluIJmo-BUWyEt95K-bHU,25440
pydmclab/core/struc.py,sha256=Jonoxfg3Cnki20EBzXbBW0-MUNF36Jl0E-PGV0V7IpQ,19256
pydmclab/data/.DS_Store,sha256=jUpD-2ntphyfxuuFzepNhrTPxFfzTTxCDb6N6vN1G74,6148
pydmclab/data/README.md,sha256=nSb-412Hq_y65ipUrXi06yukhgT35oqIsOI74D63zJY,346
pydmclab/data/__init__.py,sha256=eFsukIXFt6s_8f8oP3ojj6mkmjF8Aqe8kJGl1WIIBAE,331
pydmclab/data/configs.py,sha256=dd0fNQu0C8NT7lhvs2TUpoCvYOmjDe-Q9h9nYrw41a4,916
pydmclab/data/features.py,sha256=WJZ6vxRt_9AKk7YNxsk4eqxbvtmBRRoNKEj0lWu532g,545
pydmclab/data/plotting_configs.py,sha256=YRT8Mutzn7SGE4nUWL4McFpjIP32rnOdi-wBDAHDbFk,2252
pydmclab/data/thermochem.py,sha256=o-jDr8dJwE_X1Op3-ogvw1TB6koF6ourtQfd0OrfEmo,4194
pydmclab/data/data/221220_dmc-mus.json,sha256=fjy4esWFWmmcTTRWPLpLNfIjgVGaiO_bOn1YlOVpVGM,15963
pydmclab/data/data/230122_dmc-mus.json,sha256=k4tfa4f13Daa88ITi6nxIHlZI6zPiTKhgvAbNKfapOI,7720
pydmclab/data/data/230614_dmc-mus.json,sha256=uF01SuYZBE746c3TXhMaBfE9igxhp8ldG_1bh5kX6dA,4723
pydmclab/data/data/231002_dmc-mus.json,sha256=Se9lbr77a8uXezKz-D5OeBQZR0u2znmBvuVhs_6xm3I,11941
pydmclab/data/data/_batch_vasp_analysis_configs.yaml,sha256=2_Ify9L_RdvzlEgVqRoF5jlWHv9w2Nsw5H3FkyPrUEc,1386
pydmclab/data/data/_launch_configs.yaml,sha256=8DXJZxI1p3lRoKZCNDTygwn8RMhcai8QWaj58BloVpA,338
pydmclab/data/data/_partition_configs.yaml,sha256=S4qWfV7JY9exk8iRXajzTmt6XPe1T_buuN4LYDrzZZM,2069
pydmclab/data/data/_slurm_configs.yaml,sha256=_VeuDHcD_z9VAKE9U2W3n3dSxOApCTxJTCqmTMin_sM,591
pydmclab/data/data/_sub_configs.yaml,sha256=4hAfTQn14PFON150a-7BZLFltLpXWW5fxQpFSDgGdXI,1776
pydmclab/data/data/_vasp_configs.yaml,sha256=BrMGz8ebbuNOb8DL171B8kUSiQgNNsqFofj9qlJRHcs,2471
pydmclab/data/data/atomic_electronegativities.json,sha256=mV7KxWB8HtvRnmUvJz-UPT4bT_Z1C1-DttjjRyJDcTw,1246
pydmclab/data/data/atomic_masses.json,sha256=5xK8CiySalb8wP1BYI-l0tWKMo_C3wKWf10OzwQnMCc,1570
pydmclab/data/data/bartel2019_npj_reference-energies.csv,sha256=VJwcLnqX0saqfEDRS86PnGy7-F8-pfhvERx4xolPAkw,3140
pydmclab/data/data/colors.json,sha256=pJ0sGJU0OgnHqzBZpm9evxSaQtbxsTA4hVhozPGwrTA,2596
pydmclab/data/data/elemental_gibbs_energies_T.json,sha256=CKGUIuTUCO9o_SN_FJ7l8sg0WKb3iX3-_JMDQmg6rD8,40326
pydmclab/data/data/gas_thermo_data_nist.json,sha256=WSR1iBDfohD-P2Ezv2c6kfqXR0pYbE8anZOa9zFNK0M,1302
pydmclab/data/data/mp2020_compatibility_dmus.json,sha256=aUi8x1QWNrbLx3z-OHtLVz0EqEjlTQbx2ckZs8lJpyI,344
pydmclab/data/data/mus_from_bartel2019_npj.json,sha256=73zBe07UtrN5tPVR1HADSXSGwlOCnZPJRCPy1-lhtrs,3788
pydmclab/data/data/mus_from_dmc_no_corrections.json,sha256=Se9lbr77a8uXezKz-D5OeBQZR0u2znmBvuVhs_6xm3I,11941
pydmclab/data/data/mus_from_mp_no_corrections.json,sha256=4FDChY82WuB_kVL6UFLk0EwAIoZbryAJez67f2P51KM,1710
pydmclab/data/data/shannon_revised_effective_ionic_radii.json,sha256=2SgckUeoym4zIjNmctw3U7_4R3ZOeFp_mdn_9cMccOc,8009
pydmclab/data/data/ssub.dat,sha256=bXV6ahz4RBRP77GXvJXrt31H6CQFEysbVAkRPWAnjJQ,43287
pydmclab/data/data/ssub.json,sha256=X168RoaCcdYa2ZvrwiSOqgaMS6f0wR8i-6cMuSvAKT0,45994
pydmclab/demos/demo_chgnet_md.py,sha256=w3SbdKKvo64YAmo-EFcs3DudO-9mKxFPRYLT5_zrHgM,1770
pydmclab/demos/demo_comp.py,sha256=JsUIE67GCjdr2MSM5zM_yScQvw9XQOhnsdJXxDNAb7I,3762
pydmclab/demos/demo_energies.py,sha256=L8bO16_NFfRTxJWl503t0FX2upBptFqfDWquiB3yUt8,7980
pydmclab/demos/demo_hulls.py,sha256=80Jh32oqjd9RL7Tm-d4mYu6oDuLuR9F48ZSW5HpsAfo,14056
pydmclab/demos/demo_launcher_template.py,sha256=EO42XhMszI8NZda1hQ-OGB-vOXtFnwyiGgOFoTI-mOg,10494
pydmclab/demos/demo_mag.py,sha256=3WOgBGphA2gsVQWFtu1-pNpYz8idfJ3Hl2DUvxDTqHE,685
pydmclab/demos/demo_old_query.py,sha256=jq50KC0jQTg6TTXrXP9xb9swJouVKe9ZWt--oGf_X0c,3167
pydmclab/demos/demo_plot_dos.py,sha256=ipcatUnvICNjCABUx94kVflVk71w3s8uIydum2CtOEI,1665
pydmclab/demos/demo_query.py,sha256=Syg24zPHmy_ebEohA5eSAHb_PNc9RM_elyHMrxQT1Fw,3365
pydmclab/demos/demo_struc.py,sha256=VHT0esPkdNAzToO7zEiw8JL4Uz1_i0NTVs9OaMdJ7GY,3940
pydmclab/demos/dev/demo_launch_defects.py,sha256=YVhxXhGTQqByDLzdcJlhxrNu147p1gt5rL5iOOFOTjs,10439
pydmclab/demos/dev/understanding_interface_rxns.py,sha256=GWRncIRMajV3UXkGrqnfIdFUm6CyRh8-quHa2_R3MJ4,2547
pydmclab/demos/launches/defects/neutral_then_charged/charged/scripts/launcher.py,sha256=U_NBy701iphXS9gP7k_IfRG1JuxQlM25GU3nOKKY5Is,15515
pydmclab/demos/launches/defects/neutral_then_charged/neutral/scripts/launcher.py,sha256=eotPzl_3MJPyRgQH63loT3WdIA_8im74kEpziEtp3m0,13810
pydmclab/demos/old/demo_vasp_clean-workflow.py,sha256=ETVL3wyTOyHoYSj3VMNeWJFuSw_fTq2r7BmOwlVFGNU,17399
pydmclab/demos/old/demo_vasp_defaults.py,sha256=O-KbwKk5G_R_SUxwV4jIfOn8VI33N1NB5sLMJTW1qM4,12419
pydmclab/demos/old/demo_vasp_disorder-afm.py,sha256=TiKzgjKtRQrBCFlwwTn6emWRWCyAkf9glb_Cl0xKpvI,21291
pydmclab/demos/old/demo_vasp_dmc.py,sha256=xO2mPZZUbM632FAX0hdhANAb_VNLWYPowROUHiY7ICc,13338
pydmclab/demos/old/demo_vasp_errors.py,sha256=RsraEkpBviY6PpvvZHnZAhqOr8zK5sSN5CCli91HCdI,12560
pydmclab/demos/old/demo_vasp_mp-hulls.py,sha256=Nk3LJRiD2l3AA8NOV59UsGZ29vqV92BghtAWuPT_0FI,14942
pydmclab/demos/old/demo_vasp_mp.py,sha256=DcKrQshFxPwwu0M0QyvIcyk4TJid2Ggdv_3XNNy1L70,13346
pydmclab/demos/old/demo_vasp_simple-afm.py,sha256=Y3oOBSkBBxPjorPsZIcqpwdLm5RGlGkX1PdyxnSNhwA,18573
pydmclab/demos/old/demo_vasp_template.py,sha256=9cWaJiAGThh-l-FchhZhYrAbkdnEiXww6Cu2olJlw4U,27730
pydmclab/demos/old/demo_vasp_test-mp-chemsys.py,sha256=FpsDw7RmVGVgF8CbEOxH5XqK2_TxhfLsLe4FZq6MBq8,28183
pydmclab/demos/old/demo_vasp_test-template.py,sha256=9L5BLo9FiXHiLgrhcuM9pGCek70Zan6ByWPdmU53__U,28075
pydmclab/demos/old/demo_vasp_test-transform-strucs.py,sha256=TYTI_qa9fcAyzZ7vFC4GEYT2Tq3rrBIO_-UarWhnnk0,28376
pydmclab/demos/old/demo_vasp_test-typical-dmc.py,sha256=Uvl4BJFxzegxsgjbsabJ9DWySl4UAqaT3mSYrNh1cTs,28254
pydmclab/demos/old/demo_vasp_workflow.py,sha256=9fFxHqnTRkkGIskJvSXB6pJIrSMyYOerMBaPtzG9rzI,8131
pydmclab/dev/Untitled-2.py,sha256=KLjzsQZrkKbaRnoltiiqoezuy1EOdbNSd0iPiDHG8OM,153
pydmclab/dev/__init__.py,sha256=rHkaLqy07bGNZnAMOhNIJloq_csP4vvtm_avn4Vetl0,48
pydmclab/dev/defects.py,sha256=M_-O7pkC8WxCiC46SXa1s0j1oJnjn7m1Uv7wqm5_Mmw,9447
pydmclab/dev/echem.py,sha256=m0fKG4EykFZubFxJ5nQGPKNHp3H2nOXL7cDT0bliYGk,7439
pydmclab/dev/entries.py,sha256=jWe9HaSRMEIioTyt7-tI2oksliDC0pOvEtH3TLAESSo,3091
pydmclab/dev/grand.py,sha256=XILe39XSgc5sx6u_OMGx3YkzqBSHxFL_t2K2Kdhgy1s,170
pydmclab/dev/mixing_pmg.py,sha256=hCv66vm1mv_NFm6pyLkNFKDnSt2nZDGPcvcdgdhZsqs,966
pydmclab/dev/phonons.py,sha256=3JSh-WOlT98M4eieS6MwNRvwD8kd7XNPcgsbpzBtTPY,430
pydmclab/dev/query_new_mp_api.py,sha256=5ftu2wspNYqo70DavqOJ_tID44n-6NwOuV8xBx4JS3o,2483
pydmclab/hpc/.DS_Store,sha256=1lFlJ5EFymdzGAUAaI30vcaaLHt3F1LwpG7xILf9jsM,6148
pydmclab/hpc/README.md,sha256=fZTDNTKZjucf_GSStX6X0m0WW8BrLmNM682z-VatRn4,707
pydmclab/hpc/__init__.py,sha256=lIvLbDRVZ5MrUtiC8ADiwSJg7_k1m-Nd4GS6TFAs12k,156
pydmclab/hpc/analyze.py,sha256=lMaY-OLyOyakLP4maNDgov49mb4qXGpAaBamzLlVRhk,49149
pydmclab/hpc/helpers.py,sha256=xGplYvLw2MRI6AXSEZmva4joHtAZNIm751DOvzZYqYs,59642
pydmclab/hpc/launch.py,sha256=RVyW89MHXvu_ydQLdry94x76tR0YpDi8Pcrk8owSw8U,13167
pydmclab/hpc/submit.py,sha256=ZX8RlH26i7JNguJ14YM1TcN10IpV3oDWSwmOuc-lybw,64691
pydmclab/hpc/vasp.py,sha256=8eBbOeW2S-6N0WsbC4h7xOjWMjFSf7KpNxV2ISr1drw,26578
pydmclab/mlp/chgnet_md.py,sha256=OYTOSIsFNiVoRDO02febiHEPndWmqviMAsJamnPNOnc,2583
pydmclab/mlp/md.py,sha256=DQ1L7OOIjuX11zjYFqiSCMe6Cs10eaT7FrjVziZ_-Ac,5192
pydmclab/mlp/phonons.py,sha256=NuUaB_C06WQD1ORHGaHgWwM3pVkv4ihDP2Lz17Z2qSg,14702
pydmclab/mlp/relax.py,sha256=afdvE5ii4jP5AOfKPpZ2Sz7QccrkFk8nIFNQty_LKGk,5107
pydmclab/old/thermo.py,sha256=-cfBec1H8_8-dWA2XofVmYavZ2iIHWOvXnpZ4IfUtpE,43221
pydmclab/plotting/__init__.py,sha256=4zALCCxfSyzOKNmB_Y-R1A0iUhPpCOrKbkJ1srJWyxo,7
pydmclab/plotting/bs.py,sha256=Q_cQvKGDtOm8TAVJlY9LVNl2HS4MGmexRtyo8BlyLJ0,604
pydmclab/plotting/dos.py,sha256=VbMe7wKMyv9Eyktgbf55fccZW94GuL9aKjbdMfvNVqs,13934
pydmclab/plotting/pd.py,sha256=Y0ERIIq93Tx27R7eO2-Vbn_dr0ofklRtWX4u-NtntMk,21966
pydmclab/plotting/utils.py,sha256=KC21ojSIo35STeGlLvekChmIgGA3t-vaSRo_cKTFr3k,2430
pydmclab/utils/README.md,sha256=SUZ3p-i_Q2Q2jzZDdhkSTLdeIFM8Z1Zud-K2a-wJJyE,271
pydmclab/utils/__init__.py,sha256=Fu3niE8aYvhJya3dxwxJdCqwI8T2BIwdQ7QtgPaR2wQ,205
pydmclab/utils/handy.py,sha256=rk5tKRRqz5SBKFI_-4TvirCHnbwdd8vb7VLSIUqHp9I,3413
pydmclab-1.1.4.dist-info/LICENSE.txt,sha256=ptrtsazFx6DOwyrEXh-ieUO9W7ZPN8L6ZYrNBxhC7ts,1071
pydmclab-1.1.4.dist-info/METADATA,sha256=dgFyCS3IcgX3-E5Y50CJ-EDdVyLbnzNhjOSKdSm0qvA,955
pydmclab-1.1.4.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
pydmclab-1.1.4.dist-info/top_level.txt,sha256=gixuD3iaNJcTT10zet8RARKhSXXsobs923lhG5fFvIo,9
pydmclab-1.1.4.dist-info/RECORD,,
