alff/__init__.py,sha256=yPAYjFjitR_3lePDTwajsK8qnzgKslA6gt49YNoqT9o,602
alff/_version.py,sha256=K8nVzEnohYUHADKRbKcf8odx_REosr3t8vLXeTR5I3Y,721
alff/base.py,sha256=uTq2PTiNi0KOumv1NssTfRgVpyJHdMrn8HS7qBenfRI,8526
alff/cli.py,sha256=6uv7LxYRwAOQA-zM6BAVoqujrWKGIN7IcCvnBarw6IY,2195
alff/al/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/al/active_learning.py,sha256=fozeufLO85j3i4VSCeyKIurx8s0DYuwwMhrrlJ1pqJc,12122
alff/al/finetune.py,sha256=3Mcdn7SvqThIIFSLaBmX1oAD3ub1mYZj3zR-ByBdWA0,2147
alff/al/libal_md_ase.py,sha256=n8Q6PmepAqn5VQspu4vF90od_rcjO52KwC1MVsEkYEg,10933
alff/al/libal_md_lammps.py,sha256=Ts2V5naQfMYRkRnvM7QGbwLLth7WLdPfs-DeIaU6hlg,18771
alff/al/schema_active_learn.yml,sha256=EhdCjVBmLOJXkhSuOM_lOqDSD-KjrqkX0sKI4d9PuNE,6672
alff/al/schema_finetune.yml,sha256=hIFQtjaGmKL2mS3GZGMID2G4fzIqBC_B-qInNbEwbxQ,1503
alff/al/utilal.py,sha256=qFcKzGvdJwL1bs7iOS-SO-wOKQG9XtR9sfZh8hwQXzs,6397
alff/al/utilal_uncertainty.py,sha256=gaKL0qKF_R5V6bEpq12tJkQLeEaed741BANWvn4SU18,15733
alff/al/mlp_engine/mlp_mace.py,sha256=4ds6adWtjcMr8GZeykklHnw4LLf65LwNWGpm_HkQ-ME,10644
alff/al/mlp_engine/mlp_sevenn.py,sha256=89UCV9Il5swB8w94-7thgAwzham8NzyaDe3L9UdPE9k,10784
alff/al/mlp_engine/util_mlp.py,sha256=anvuixW5hKMmrdUPqcD3fPjM_Gpx07Je9bG6RpKjvPQ,4910
alff/elastic/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/elastic/elastic.py,sha256=nBC6xwEjGPeVKwTevjWxf1s-bjeOb5bTwy86EV9PJUk,10267
alff/elastic/lib_elastic.py,sha256=j1qd5B5TEdsXbaRtZKpVA1pptZxIJp3pnJEPrwEEj-w,30354
alff/elastic/lib_elate.py,sha256=Xgz4f_FSPmrtTZyay9YnGAZLgzt8fAMnL0w0mZraO6c,172
alff/elastic/libelastic_lammps.py,sha256=xdrdtzS8-co1A_2I_Tn9JTCGotE4XHDQBbXbyq6zgjc,2844
alff/elastic/sampleConfig_elastic.yml,sha256=YbcXpEcDQ1h-VIcKg9TdjS1m17ry9KWwdyRV7Jkj7Og,4308
alff/elastic/schema_elastic.yml,sha256=0TW-FUivUjeTo2jqX3C8CcyBm2xVvfGI6KHALjFFeZs,948
alff/elastic/utilelastic.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/gdata/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/gdata/convert_mpchgnet_to_xyz.py,sha256=SblHPXNCqSeoUodywhWUoxFrgom0wk2P2gy87bv1z28,3348
alff/gdata/gendata.py,sha256=iQ5vIQBLC0x1_zjOLd1FZGb-e63ldR_SUNoTGPWc3uw,11316
alff/gdata/libgen_gpaw.py,sha256=tWB2DK2Q_lh0agtanstZouq2Fza-u1ixHBf5uagzBr8,9267
alff/gdata/schema_gendata.yml,sha256=IeVhQbl3sMpjUxHtpc0Klq264TkR-r-psV4_P1NsNag,3155
alff/gdata/util_dataset.py,sha256=IHSWLy_yoWN4eE44j5NJmmxu4q_kM-KIRiF-L6YncZY,22169
alff/pes/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/pes/libpes_gpaw.py,sha256=CaMsj0KoziPD_w58dhD4_psKyaTi1TvkYuQ0_OzSw3s,3296
alff/pes/libpes_lammps.py,sha256=H9Dq0ECMCTXhd2aeer3l9QAupIAxxHzBS7cG646CiUU,9216
alff/pes/pes_scan.py,sha256=gt1Xhr_kn1rDoLSDYCIEFy9SqzFPuOodk3X25gmjcqE,10002
alff/pes/schema_pes_scan.yml,sha256=-nllpxVS3FUiXCtlYFctdzw6ow_gUzp8LZUJFZ_ZPEg,8196
alff/pes/utilpes.py,sha256=YHKKVWgkErggJm6SG2kXK18e1hk6CXRUvaSItpz0Ubw,13068
alff/phonon/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/phonon/libpho_gpaw.py,sha256=MJ-A4r5rgzP8ju9wT3c1L9nNRYrMRTrbYVSqhMRQWJ4,4426
alff/phonon/libpho_lammps.py,sha256=FkitXDVJ_Tvy5Ie0phA_fcInwiEfMl6HA5CKtAPggtY,8077
alff/phonon/phonon.py,sha256=tnK1ccoeIJqwbELx__xv_TC5nGeRqX3uy4CXoB6-Z7I,10994
alff/phonon/schema_phonon.yml,sha256=yKCG6oPSI4Nf1lX7zrBEp5GA6vCalDriThwctbz6TEk,9976
alff/phonon/utilpho.py,sha256=gUuJw7Kp0U9KUKDCwJHNWVDxZnZH_owadKtE-zdpmbg,9929
alff/phonon/ref/phonon_ref_code.py,sha256=28-fCDcA86OxE-LmoyIubG_O3e5vlebscKYQwvevMv0,4390
alff/util/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/util/ase_tool.py,sha256=Frg-qYOVdx-Wyn6uOsXZDGj5uq-IFCqYJPxX-WVB9eM,4381
alff/util/key.py,sha256=8OB1e9mK2Db5NCy3LzxQnLy5hImcwaQoHgKiGprwpVo,2439
alff/util/tool.py,sha256=JFa-r06A2uEDILstCpF_cBG39KpreALWbsYKhuCn1B4,3672
alff/util/script_ase/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/util/script_ase/cli_ase_md.py,sha256=8TBtPB1a7_DGswycYiqGpL58H54af9oYD31SvL-EIUQ,8512
alff/util/script_ase/cli_gpaw_aimd.py,sha256=WvYeC3ofLn05GIEtRvBA_NmPdtXDKJa4HeSSL5kxm0k,10012
alff/util/script_ase/cli_gpaw_optimize.py,sha256=TqFGZ3D2aH_Xw09anH-Vq7fWopmySnnganfBYtgnw1A,4977
alff/util/script_ase/cli_gpaw_singlepoint.py,sha256=LA624jkc2gkdI0CSQoPWjHZs89et6LWWe_2fRX3BevI,3047
alff/util/script_ase/schema_ase_build.yml,sha256=dKuP8vEfeK4Qm7InPceq6_JY3vz_cUVaaU9Ra95LK2U,1161
alff/util/script_ase/schema_ase_run.yml,sha256=Qrm8NHZmMY6HyZ45LZIaXd6a_ogGKk92isNbkP8IeHE,6934
alff/util/script_lammps/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff/util/script_lammps/lammps_code_creator.py,sha256=9ngKszdWwxDDRlrYIS0_wWJuqU-BSPQi9YM_dY9zzl4,23834
alff/util/script_lammps/schema_lammps.yml,sha256=-8Rolj7byZl6YassOnO5aZ4UNlOmz8p5Jo5APNab_-s,5563
alff/validate/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
alff-25.11.1.dev5.dist-info/licenses/LICENSE.md,sha256=2RfTGcPWQY237G_b3JD0SVTXTylmGmqyaU7Hy0W_7Hk,607
alff-25.11.1.dev5.dist-info/METADATA,sha256=d36DaAzGj92U9roB1dDNyftY5K1EN67kPmyfqOr7SrA,2682
alff-25.11.1.dev5.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
alff-25.11.1.dev5.dist-info/entry_points.txt,sha256=1ryatfdiBQE3hs96dn0hrsvXewbiS91TrRJOFl7req8,293
alff-25.11.1.dev5.dist-info/top_level.txt,sha256=Z-YqHlw14yQXOsSFm_A0MQeM3Znl0ogCRiNuZO7EWqQ,5
alff-25.11.1.dev5.dist-info/RECORD,,
