| Path |
Digest |
Size |
| esse/__init__.py |
sha256=6KTBi-sZKXVtXmhEEYIglVjD0Ipo6QlNLGnufTc5dgQ
|
1209 |
| esse/_version.py |
sha256=EGkk8v_uHGZ5zzyXXIxjflYdm6-nv5kk1DMurnzNjMc
|
427 |
| esse/settings.py |
sha256=Tgo3HONZzWj8mkVZMyd5dlG2cgJN_JkK0Vidh-fORxA
|
412 |
| esse/utils.py |
sha256=8czWY-o5sTTjkf5M1giKTrO1FnPu9ZAV0SBfgr7OhyM
|
2963 |
| esse/data/example/element.json |
sha256=4k9Ts61gN9OT87KEpzxsQmJu3-CDRJGzo1Rz6eVy5tY
|
363 |
| esse/data/example/job.json |
sha256=fF6mnzqNDjaUeD3qLA97ZvuqmX8cV-AImnVDSCcrpQo
|
594 |
| esse/data/example/material.json |
sha256=bF-lZfIJrubMBZIPMZLu5IDtU1n90BNLQHka0aDqFJU
|
2167 |
| esse/data/example/method.json |
sha256=Hqj2Nvo_v1rDCXQzQKS4-CRedzIjs1sClGY7IU2JjjA
|
97 |
| esse/data/example/model.json |
sha256=KuClRniHRUdT-LobXhJw_IhLtnJUMNh2z_eYMuFFNF0
|
105 |
| esse/data/example/project.json |
sha256=90xamDYXu2lqcyBs-ThbDzczZGn7oxZKa1ZrK805A58
|
487 |
| esse/data/example/workflow.json |
sha256=PSxI9QJjunZ5AwSFiL78gEhIKd0XqZDCSF0Vt0zWP38
|
771 |
| esse/data/example/3pse/file/applications/espresso/7.2/pw.x.json |
sha256=PVebbKlezGVRbdQj4hOc9rZ_9UEQ-OsB3v-rkR6qkUs
|
2118 |
| esse/data/example/core/reference.json |
sha256=7vM2G3I78T60erVzY5aVj8hTqB19p3CYvanLLcPzr-s
|
50 |
| esse/data/example/core/abstract/2d_data.json |
sha256=PE9iDR5sMrts2WQrcIV0H-LL0g6q0konShc0MSGpIBA
|
223 |
| esse/data/example/core/abstract/2d_plot.json |
sha256=4Gk7nIQflMfxn750bxV9gmxa5dTgm9dSpPlQq8-j_QE
|
353 |
| esse/data/example/core/abstract/3d_grid.json |
sha256=XZURsm5qgw46_u4WOCoqDoGy4oHchwcdiga4Yqsm3Xw
|
117 |
| esse/data/example/core/abstract/3d_tensor.json |
sha256=LPnwXZ7PBpoM8AVSzPrdMyyOXa8C9gS0p-DXOVBo9yU
|
138 |
| esse/data/example/core/abstract/3d_vector_basis.json |
sha256=qncS_aHdGWnfhkggpsi4U0hzYQ6T7pjzjWYU_Xblqlc
|
171 |
| esse/data/example/core/abstract/point.json |
sha256=sDIo_b4SlEct01SDLCqAGjnk-ZgavSUJ28p5RJwPG4I
|
30 |
| esse/data/example/core/abstract/vector.json |
sha256=8j3sdiUmYd_wb412ySieozS-v85BqrQfiG9nEy9p7Xg
|
30 |
| esse/data/example/core/primitive/1d_data_series.json |
sha256=WSNpbiBe7Z3pvL3hYFqDsgju2GowRJ26ajAnh9LzxuY
|
97 |
| esse/data/example/core/primitive/3d_lattice.json |
sha256=E_6YwOVmisoH3BRKIzIqd-QVdPYA0YkqIfvYcAQX6mo
|
104 |
| esse/data/example/core/primitive/array_of_3_booleans.json |
sha256=Y_DtRMVo6HlV8SFSv-DIUBT4URENVn5JE5meotTlrqc
|
35 |
| esse/data/example/core/primitive/array_of_3_numbers.json |
sha256=8j3sdiUmYd_wb412ySieozS-v85BqrQfiG9nEy9p7Xg
|
30 |
| esse/data/example/core/primitive/array_of_ids.json |
sha256=pSRqgzm3By6t5vomc_uzLzQ5dIHO7EoJNrSGBILV02k
|
61 |
| esse/data/example/core/primitive/axis.json |
sha256=CnUniUei5x5OHBpDcZ4KikAlgqZfR2j1Pweud4i423s
|
45 |
| esse/data/example/core/primitive/scalar.json |
sha256=ukInKWzYiXoPOobXaphikiae-d_4scucBVRuO_onH-w
|
21 |
| esse/data/example/core/primitive/string.json |
sha256=FVhv08BwkdOB3Pq9v1iHCYyUMGKEl3VcQBQ2EAaFlao
|
34 |
| esse/data/example/core/reference/experiment.json |
sha256=A6XetLXVWm7BdNOrkpdoB4BB3rPS6PA5PY6oAU_dCrE
|
422 |
| esse/data/example/core/reference/literature.json |
sha256=IFRYPCxR28LpblYgeg7m-iYBoTB87nbUjyrtgvFxF_Y
|
127 |
| esse/data/example/core/reference/modeling.json |
sha256=8bR0zfFlvRzS-EO1y1YII-67KWIQ081PMyhFGuKjf54
|
48 |
| esse/data/example/core/reference/experiment/condition.json |
sha256=REs0bBram_C8lHdMCAqp_ZOPhspeBuJWpAUN2TM0lq0
|
166 |
| esse/data/example/core/reference/experiment/location.json |
sha256=7bmwlVWw054FsUIzfllbd4DOYu3JRJnYcWx1rcxaOxQ
|
59 |
| esse/data/example/core/reference/literature/name.json |
sha256=V5yDeM5ZpnkbJGGKMw6d-_liBVWSkDnqlQJrJRcLHEA
|
78 |
| esse/data/example/core/reference/literature/pages.json |
sha256=4rlZvOhnOWWno_WUfn0tZ7DIPb-kuyKazaefogXLwGM
|
37 |
| esse/data/example/core/reference/modeling/exabyte.json |
sha256=Qux6w4GfJpUK3i394uMI4P2khLZWhiQ1uQTHOgYZ2_k
|
141 |
| esse/data/example/core/reusable/atomic_vectors.json |
sha256=7r6WCQPq9gICBorBDzFX48YjotVWEJ3AL_VdrY3dPFI
|
218 |
| esse/data/example/core/reusable/band_gap.json |
sha256=hjiWwP0QXez9nkuG2auCOTSBCFqPyCv-B4guaA6woJw
|
221 |
| esse/data/example/core/reusable/energy.json |
sha256=kmC7pu4-HkZ0OoFNWsZN5JGplNwMF0hT_l0IHPAkeC4
|
77 |
| esse/data/example/core/reusable/file_metadata.json |
sha256=VMg21EyWnnSz7wTNIY7HBjroptg7fQNzk_HPRj_0tmA
|
95 |
| esse/data/example/core/reusable/object_storage_container_data.json |
sha256=nx-k-wQb5Q-WQ3QEYAUx57EpQllSw2DsAFnYqlUt7pI
|
268 |
| esse/data/example/job/compute.json |
sha256=UVAjaEjlgmFCdRaA2JNtD4svKAAyBCechFUgX9GV7VQ
|
597 |
| esse/data/example/method/categorized_method.json |
sha256=WO80pcWX-ss26PonfK51zNaMuYK6lqOmuTZaB_FPEoE
|
1331 |
| esse/data/example/method/method_parameters.json |
sha256=ltZH8ApuTSfwTd_U2L-o1PX0fdWg1MjcOQgoPRpB8Ik
|
30 |
| esse/data/example/methods_directory/legacy/localorbital.json |
sha256=Lp77ywgU4M0aIv2i3bhAfvANDNuoafYK_OEayiAxVUM
|
55 |
| esse/data/example/methods_directory/legacy/pseudopotential.json |
sha256=ZvTxTCALwdDEIQqk3SNP1vC9r9aLjpgs1y2_BfOjsxg
|
55 |
| esse/data/example/methods_directory/legacy/regression.json |
sha256=9zgEHp2I0vu9OHQSiC-Yx4SAEzn_0y7jmAiS5PHBT1E
|
1730 |
| esse/data/example/methods_directory/legacy/unknown.json |
sha256=-9Md1E40XylOZ5U4e4KrDiV1h3i6BFMIhGmRwlqR3tc
|
52 |
| esse/data/example/methods_directory/mathematical/cg.json |
sha256=98VSaW5tZhOefCiUhNy0kwulm-NxExwKGpxHJg225os
|
203 |
| esse/data/example/methods_directory/mathematical/regression.json |
sha256=FePk4QDIGIp-TRfpZqntfRdUuLQlHR9ZCJQ7NOBlfzM
|
1842 |
| esse/data/example/methods_directory/physical/psp.json |
sha256=YpvlyJIwPY9afNjzdL6JqmMY_Z2kTLP3d9B4O8Eiz8E
|
312 |
| esse/data/example/methods_directory/physical/pw.json |
sha256=zv_BszM8D-M6mLbBaRKCPs9teqf0dN0ITzDWmPbaiXQ
|
154 |
| esse/data/example/methods_directory/physical/smearing.json |
sha256=YsfPTTEBR80YnWW3bNbSluIdxbVWd5o7xBwrSU9m5EA
|
234 |
| esse/data/example/methods_directory/physical/tetrahedron.json |
sha256=IkTlrNAi5JdNP6un_J-WMCDgxrJUs1wMNZYnK55mHFY
|
237 |
| esse/data/example/methods_directory/physical/ao/dunning.json |
sha256=_nPiIbuYDuBcSA4NQFrrqoxgn_f7e5p-jk0ucEWYzWA
|
269 |
| esse/data/example/methods_directory/physical/psp/file.json |
sha256=9YrYP_BfawcyX_Sv2qyHZa5vLEP1oknBzHEnxEQq8Ro
|
1453 |
| esse/data/example/model/categorized_model.json |
sha256=SDEZphqc1cPH9zSoOGV-_WivwKxjumRI3dY15Livqdg
|
764 |
| esse/data/example/model/model_parameters.json |
sha256=sVc4dhVffF4fZvS78FnO-XE5y_0RIaKIeYSR460JaX0
|
158 |
| esse/data/example/models_category/pb/qm/semp.json |
sha256=L--pbk4aVKlHZQ3WuE9J6ijBWsUloxJE8OBTWBly1Q4
|
62 |
| esse/data/example/models_category/pb/qm/abin/gw.json |
sha256=US4Ysv6UuuFDt1GTTfRyefrLDb5fRoJLBMmt2BmFJ3Q
|
127 |
| esse/data/example/models_category/pb/qm/dft/ksdft.json |
sha256=Ig-4sqOuztF163V07Os0ZE3sXBUrpTgXhy0Pok3dEt0
|
82 |
| esse/data/example/models_directory/gga.json |
sha256=4AArqVrYyRGz7rE3qyfNMzxtipxZbx_95xbkYNB7JLE
|
310 |
| esse/data/example/models_directory/gw.json |
sha256=Mzw93xFSNTkKI_d6_XuM2LTcX18SO5zB3ReZZLxXunU
|
312 |
| esse/data/example/models_directory/hybrid.json |
sha256=QNSSxK5199vkmi4r-5FcYivgD29DvswzfH2yOryysKE
|
317 |
| esse/data/example/models_directory/lda.json |
sha256=Cp44Pcpet0pYtyjRcfORGQIeTThBPklpYisr-5J6Aow
|
305 |
| esse/data/example/models_directory/re.json |
sha256=-moU3Njxac2suZC7u1UoxZhIcV31dpNG-N55h7uCI-A
|
143 |
| esse/data/example/models_directory/legacy/dft.json |
sha256=yIFCj48fjU2py2ys1wMrW7HXlZ7uXHcpnkjFimOwHz8
|
136 |
| esse/data/example/models_directory/legacy/ml.json |
sha256=HLSJeKr_wBFOcp3Ty6NHpfUezm8_ft6F4kIJVmmXHyA
|
109 |
| esse/data/example/models_directory/legacy/unknown.json |
sha256=IWs5FO50YSsF7VOrjQQxbEsASlSqtA9DEFKP2sKxtkI
|
119 |
| esse/data/example/properties_directory/electronic_configuration.json |
sha256=OgFwMMTDK2kl9hW48wf3oaf4aYzKla5cRtLeE-eEFL0
|
43 |
| esse/data/example/properties_directory/elemental/atomic_radius.json |
sha256=MIe2MV__9KzkwgA1r1-F_Fal1NE8kprbdJWFtVU4swE
|
48 |
| esse/data/example/properties_directory/elemental/electronegativity.json |
sha256=1EHt5wPSOODCAahblGp6Emye0lkam_lzw6ImB8v_DP8
|
54 |
| esse/data/example/properties_directory/elemental/ionization_potential.json |
sha256=Kkn57k181chyhHS6A7nKv1pASO3y6LoWJhDjs1AFImk
|
57 |
| esse/data/example/properties_directory/non-scalar/band_gaps.json |
sha256=DrLgd-7yeY1DBu5t303IUzGSAn_je1nAdqujxHRBFM8
|
478 |
| esse/data/example/properties_directory/non-scalar/band_structure.json |
sha256=wx17Mk26FADPYqr37xSlVe3_IeTd2uvj_Rw9AyFGMCk
|
664 |
| esse/data/example/properties_directory/non-scalar/charge_density_profile.json |
sha256=ERwC1s4dRYCDFVssNVKcZ3lsE4vqHb0U9wsEe3AMZbs
|
353 |
| esse/data/example/properties_directory/non-scalar/density_of_states.json |
sha256=oVcnaDArEoBVnsMen_y0ESrJeWOtBRJJdgHT2K3LIqQ
|
903 |
| esse/data/example/properties_directory/non-scalar/dielectric_tensor.json |
sha256=db1bVScbjlgLUzeRhnHxNs3T5HAuhvIwdfSZ3_z1l90
|
3326 |
| esse/data/example/properties_directory/non-scalar/file_content.json |
sha256=yhI52TYvn8R4HjWoQosHCLVsTPw1f5QK6fR4CGI3yeM
|
195 |
| esse/data/example/properties_directory/non-scalar/hubbard_u.json |
sha256=Fcsyvd64rYiPS9_0c_hknN6y0GShQrv_JNTkjUu8PQc
|
484 |
| esse/data/example/properties_directory/non-scalar/hubbard_v.json |
sha256=2adWnZ86_pp1YVurTmZVHnbB8M-syyotKG3DDZpHQ58
|
464 |
| esse/data/example/properties_directory/non-scalar/hubbard_v_nn.json |
sha256=F5uY3byfPHCMgr2p5056LDQ1z6-0tZOJvhY-zHkIMck
|
538 |
| esse/data/example/properties_directory/non-scalar/phonon_dispersions.json |
sha256=9Zh0MaUwCKF46LUEBYk0T76QD767nzHscBGtwF1XB8M
|
694 |
| esse/data/example/properties_directory/non-scalar/phonon_dos.json |
sha256=VGjz6BYsi2aZmq6d2HluBHnvI7Wz_yimiDFpMt5sK3Y
|
667 |
| esse/data/example/properties_directory/non-scalar/potential_profile.json |
sha256=BAfsB4aQYPrb-zrMia4EKfNcTxCzQy1xRo1dvB87uAk
|
530 |
| esse/data/example/properties_directory/non-scalar/reaction_energy_profile.json |
sha256=p1lhCJgxeeDyT8tHvFhLtK8VjfC-me3XO076Qg7gh34
|
551 |
| esse/data/example/properties_directory/non-scalar/stress_tensor.json |
sha256=cJpGOt0JkDyt67p-9fU8TFoZ-48oyqVDYKUgaIeXCPE
|
269 |
| esse/data/example/properties_directory/non-scalar/total_energy_contributions.json |
sha256=vJiF681Yx0OoxBRrRjCd5FUOG_c07uPEP0uR8SdbK6o
|
1011 |
| esse/data/example/properties_directory/non-scalar/vibrational_spectrum.json |
sha256=odAZ5MDGoTwP4TFpATwOSarNh8VlRwBdI2HjPiGBdIc
|
425 |
| esse/data/example/properties_directory/scalar/electron_affinity.json |
sha256=8so74_fsN1X4iJQq7sGfXtSkTf1epnloHq8MBeTZbHk
|
73 |
| esse/data/example/properties_directory/scalar/fermi_energy.json |
sha256=bJ55vDIS0qJYKDx34OeGcgjh7lTo1Z_tLtmgimcowzw
|
69 |
| esse/data/example/properties_directory/scalar/formation_energy.json |
sha256=pS7Zqd7l2XRu432SAniUbeD6VrI2gkyEV3dqb6aF7Go
|
82 |
| esse/data/example/properties_directory/scalar/ionization_potential.json |
sha256=oW0A-DQmyV2_e4Xy_x3-ZI5KB9zn2zZikE817rU3DAk
|
77 |
| esse/data/example/properties_directory/scalar/pressure.json |
sha256=Kr7V26QgkBlwyip9E3AhtSMLlqvKv_RRk0Eowlbjvy8
|
70 |
| esse/data/example/properties_directory/scalar/reaction_energy_barrier.json |
sha256=44SbW6J3iW1aRzs0rBxbZBfYr7A2wHxQfgsfGLyAkHI
|
89 |
| esse/data/example/properties_directory/scalar/surface_energy.json |
sha256=Nyg_OYwyZfoF3ei8EDA6F7jj49RshIVl7wXYARHO9uc
|
75 |
| esse/data/example/properties_directory/scalar/total_energy.json |
sha256=_BTBExmfzyIWF7a_0hbXl4gdR0r5lbljaEhCog2tmxo
|
78 |
| esse/data/example/properties_directory/scalar/total_force.json |
sha256=stmFHZ2pgtt0_ZIqgGaxk5-CCHe-GaVfERp582sbviY
|
78 |
| esse/data/example/properties_directory/scalar/valence_band_offset.json |
sha256=Q_cKukdTpplQ97aJOBteVNT1_sNtXdqA5qNZxaGrJg0
|
77 |
| esse/data/example/properties_directory/scalar/zero_point_energy.json |
sha256=u2gOtizUPMtQptEvs7WQ96NJSIVQO3rzLuO_Dw3ElLs
|
83 |
| esse/data/example/properties_directory/structural/atomic_forces.json |
sha256=yoI5Ae7WK0QbVBYUfV04cb15PM8M4zq0RlbionohDw0
|
378 |
| esse/data/example/properties_directory/structural/basis.json |
sha256=ragKzlK44qoAI18V9PhBpnDjMX61vHy78dMPoGm48ok
|
345 |
| esse/data/example/properties_directory/structural/density.json |
sha256=94HfeF1iMwneSYlkT-RZ87aSAM_Ikz8Uj0O9omD2qSU
|
68 |
| esse/data/example/properties_directory/structural/elemental_ratio.json |
sha256=VC0i_759WaPwy2Zp1KHsXL97fgijJcjbcwqVGePjE1o
|
74 |
| esse/data/example/properties_directory/structural/inchi.json |
sha256=XTIQbQ7nCR1ysBHiOPJROQUZPLnyEVRQ7tmon1JdasM
|
69 |
| esse/data/example/properties_directory/structural/inchi_key.json |
sha256=kKO7nBWYMGqDMgVFHNKOqZTcI2LX9_kirw9_z9-B1UQ
|
72 |
| esse/data/example/properties_directory/structural/lattice.json |
sha256=TwME8KMVhZHA3JMGLTGhVW1w_1Y_Y-vANYQPmEO2ios
|
157 |
| esse/data/example/properties_directory/structural/magnetic_moments.json |
sha256=kyfHUAnTLYFiyTtKamfu5xB6QTty426URYlU4JQUwSg
|
363 |
| esse/data/example/properties_directory/structural/molecular_pattern.json |
sha256=ST0aKBd2Xyqf-KcUngtOZJ068Q0pb7h8LUL1nmnMj9Q
|
1465 |
| esse/data/example/properties_directory/structural/p-norm.json |
sha256=x6ZuuqoU4l4NrdasBhvDCmov-PU49yFq9HqCVmS0OM4
|
62 |
| esse/data/example/properties_directory/structural/symmetry.json |
sha256=WSrsaLeA9XEB_h8oTN0Me_JC8c3EL296TH_M1Ui4pnU
|
167 |
| esse/data/example/properties_directory/structural/volume.json |
sha256=2FtgXX4ZjRjy5hIHTZ7J0uxTzriH3rxQtprp89ECnz0
|
72 |
| esse/data/example/properties_directory/structural/basis/atomic_constraints.json |
sha256=4bsps2XeZ7QD59jcYVo5LLlGfNRD7ETbiJiVUDeeaVk
|
350 |
| esse/data/example/properties_directory/structural/basis/atomic_coordinate.json |
sha256=0y5dBHK9a_a2AYRYJcp9wNAXaAetCIXVtMwPTDcguOE
|
70 |
| esse/data/example/properties_directory/structural/basis/atomic_coordinates.json |
sha256=TA_fFVq6iTt8zFXqWXZQwBKtGVnQIRwcWb4DOnSj8xI
|
338 |
| esse/data/example/properties_directory/structural/basis/atomic_element.json |
sha256=PL9gtd9zGU8Oryg2z4xBJNcT48LbJCs10c_K1dxkywU
|
35 |
| esse/data/example/properties_directory/structural/basis/bonds.json |
sha256=ZRrt2NWrQ2iAsZx1ZdovmOB7ffBmIhkpdK8ASe91j-k
|
363 |
| esse/data/example/properties_directory/structural/lattice/lattice_bravais.json |
sha256=vnlXLZzMN_bf5EA-Xw-cuInkDmqOD5hCsj-NIat4s30
|
201 |
| esse/data/example/properties_directory/structural/lattice/lattice_vectors.json |
sha256=V4sLHZOmtPvs-rzzNBk7lupsBOSu1W3cnZR0vIfihHg
|
261 |
| esse/data/example/properties_directory/workflow/convergence/electronic.json |
sha256=0UT8w0YIzgljwev9QMwvan5t2_jMufULdO0xtpp-Vhs
|
259 |
| esse/data/example/properties_directory/workflow/convergence/ionic.json |
sha256=nqujgJ3DG_QOxISUna4gnye-_bhf8ql10VUAvrgI5BI
|
423 |
| esse/data/example/properties_directory/workflow/convergence/kpoint.json |
sha256=31IYRr85nqdyisMoMA7nAu9-FJSrqy7uVBzAS3h1PWA
|
423 |
| esse/data/example/property/base.json |
sha256=9e-8GLKvxb0NT-n1JWFBLHqmPucBa1ZDImX69E_zfus
|
478 |
| esse/data/example/software/application.json |
sha256=fYS80fvuf-NGp8flcQ7bY7S_LLP8OhmFGoxV5KqbK0M
|
148 |
| esse/data/example/software/executable.json |
sha256=vQ_Vu2EeAhuQCPPSndKbmP_-8AJxnY7HGEZHvr2x618
|
354 |
| esse/data/example/software/flavor.json |
sha256=9CjttYt6NaRsPFKGgdhN7ZUGSWBzn7yi0mkyCIvo3DY
|
154 |
| esse/data/example/software/template.json |
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