Wheelodex » Projects » apex-flow

apex-flow

View on PyPI — Reverse Dependencies (0)

1.1.6 apex_flow-1.1.6-py3-none-any.whl

Wheel Details

Project: apex-flow
Version: 1.1.6
Filename: apex_flow-1.1.6-py3-none-any.whl
Download: [link]
Size: 141121
MD5: 20fa6d5274a9ae8f1c963c611e0b37fa
SHA256: 7dd934503168817a23639e9b1a72916e9b276a8603551960942364f321b0f28f
Uploaded: 2024-03-21 07:01:32 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: apex-flow
Version: 1.1.6
Summary: Alloy Properties EXplorer using simulations
Author: Zhuoyuan Li, Tongqi Wen
Author-Email: zhuoyli[at]outlook.com
Home-Page: https://github.com/deepmodeling/APEX.git
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Requires-Dist: pydflow (>=1.7.83)
Requires-Dist: pymatgen (>=2023.8.10)
Requires-Dist: pymatgen-analysis-defects (>=2023.8.22)
Requires-Dist: dpdata (>=0.2.13)
Requires-Dist: dpdispatcher
Requires-Dist: phonoLAMMPS
Requires-Dist: phonopy
Requires-Dist: matplotlib
Requires-Dist: seekpath
Requires-Dist: fpop (>=0.0.7)
Requires-Dist: boto3
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 33398 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
apex/__init__.py sha256=1Ilqity7ZlJyyFlhP1VSoXNnW0JD6qHQG1WdCptYvnc 3410
apex/__main__.py sha256=YCVz7IH4hAA-hhSC5s0-O3golgNF87UiAIwOdIJrb98 88
apex/config.py sha256=PnNs9vR5L2ROJ-NU_6Noivla8XPzfajIpbtrbXuewSk 9453
apex/flow.py sha256=GxNQo_ZFnBi-SDhUfaXCFxskbBiKnv9sh8FmXwBRMWE 6948
apex/main.py sha256=yU9jkqk7XWq0HOWKmBqZptD8PpgJczuAAGkTjBbdQ2s 3470
apex/run_step.py sha256=poqmb-a7OR30v22vFPntAGYlpyyCJu5moWzvmaZXnKA 2626
apex/submit.py sha256=DXUeEd-8VcsXGrjsTerAY86JD5tFMZDAtz4efcyJr0g 7126
apex/utils.py sha256=3ujhywaMSkM0G-76lbbjC0ZbzUFAGMEcADPyt8WFWyk 2203
apex/core/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/core/common_equi.py sha256=P_juMIpCbZ-LpACrM3yJJxySs2AxV2vaBUcO4RT8mxU 7898
apex/core/common_prop.py sha256=fVzcTOlp0PxmUzgEar8EOFJ3bkPAKS1H2EefI1X7oYE 9244
apex/core/gen_confs.py sha256=5WWNwhzO0gFM612UIiW06hptCtEYtkNwJrc5MqnYI1g 4024
apex/core/mpdb.py sha256=G8ztmfYpGqmDwibzHcCWrHCTpeibI2gznxIGr5ElnuI 806
apex/core/refine.py sha256=IJbJyN18bt8osKawtbvG4QmiroDxt7wvbQb-_a30NmQ 2250
apex/core/reproduce.py sha256=46VWjxAr9oFqJjFsqVjSN5704KUvtOIY8tYUFu3CDI4 6439
apex/core/structure.py sha256=57ZYrJLD1rF6Ab5FA1ya5exEk1y5bPTXkI8grDiE2Jk 2667
apex/core/calculator/ABACUS.py sha256=LIs-VcaP7-gOqdljeMndOxSEQ1oPKsAW6C0Hk5DIVbE 9345
apex/core/calculator/Lammps.py sha256=d3KyuLS5vSceCXK3PL5sZYwpFD0ncnznNt_k3e6bBik 22873
apex/core/calculator/Task.py sha256=xr7ylakVmvASVpBV4mrJk9dTpdvayF5yUQv6RLKnoQ4 3058
apex/core/calculator/VASP.py sha256=CusuMALT_t1sSbTk3BoJ63nG9_6LG9hMkX9A9K9IKjw 11354
apex/core/calculator/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/core/calculator/calculator.py sha256=zP-HvCi0fij7BbZ9vEuM1mvE5nmgtiRJg4YPfvAOw6k 863
apex/core/calculator/lib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/core/calculator/lib/abacus_scf.py sha256=kfzapDTPZSllRVca5Q0HfmyWWDCIfABqsD6rpFQYCuA 17276
apex/core/calculator/lib/abacus_utils.py sha256=beYonapvkXpt6_8UffHQISoAFLSGYZ9V1Yq_uAIaHE0 13626
apex/core/calculator/lib/lammps_utils.py sha256=xXGNY9HVk06BC4-I8mp8kHko0BV7AWe1rf1TD6VcNRg 17685
apex/core/calculator/lib/vasp_utils.py sha256=RyVV3C-ZN2UW78S6mCna5k7FUTHhYavAl9k_3IQpG-Y 14787
apex/core/lib/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/core/lib/crys.py sha256=qOo8XLP3qeCSR4aIBHrbIBSTqjc09SzaPMJiB-I2vMo 2170
apex/core/lib/dispatcher.py sha256=f4HdYv81sbHCDz2uG_rDeyAWkCeoB1VeV9cgAhVLKnw 1341
apex/core/lib/lmp.py sha256=Z1Nvwrxw2m1rnZh4VUUiAcLzyVnuf0YqgX1GRXqvQGU 5325
apex/core/lib/mfp_eosfit.py sha256=8zJ7cUbqdIQi3ofcjv9oUuF7K8XHg2d9gNN2bLdklPg 46593
apex/core/lib/pwscf.py sha256=ly6-5TaxY_8a6sXCM533uHO238j6dbaqjr2_UV7rSFE 4428
apex/core/lib/siesta.py sha256=EBEJpHYkQy4fSon-GLcvQWBrNN-ZbfERX6Z4IieBGEA 4322
apex/core/lib/slab_orientation.py sha256=8I5Es9uxcAlAYVMrearbS-A2L_Inc6WlxwAI04-SzqE 7853
apex/core/lib/trans_tools.py sha256=iOm9k0dNUAKoAq9ZUwYKz3tVpuvGFLiTkq_dwBLCp88 1871
apex/core/lib/util.py sha256=vcFoXbYx-B57F1UHhf8buTsNS3OvAJUVUnLjJxbv5zA 3936
apex/core/lib/utils.py sha256=JN3uL2xK7WLXtN4Ntp5DpW2g4G06Py-j_9hgEow_y8s 1958
apex/core/property/EOS.py sha256=vfRVQfk2if21WtkqgEYHOmG3SuE90LhydfdxFtIq6NM 12267
apex/core/property/Elastic.py sha256=Ugf7STdrhLdE3ZMF2wRcPjMkEEbJiDn4Zl4q4p8xktM 12178
apex/core/property/Gamma.py sha256=716TqBjSKGttx1fLOvXIljqQbTEYsdhMqF1DEZPRJRI 27949
apex/core/property/Interstitial.py sha256=wrr5plEJbKkEOMx7cjeYGFy1KS9WRt8P0Efdh5n8iBI 22051
apex/core/property/Phonon.py sha256=5-kVVNq1pkG93wfW4Gmfa7Z26UrSw-aXaLG0waxSOxo 20814
apex/core/property/Property.py sha256=Z3IvYwK8bZkFr8kfZ6JCGAOEhLBckD6DT79uRD-G8Gc 3844
apex/core/property/Surface.py sha256=maN9ZbIHSaHbeYjHAFkdKd9vVPzQuGO68XTql49ZMpY 12438
apex/core/property/Vacancy.py sha256=AEycINCi09Mc6-UwIINJz0K0kZZvwQMzKd8AAGJxuvI 11232
apex/core/property/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/op/RunLAMMPS.py sha256=d9zasZ9xOTkYLeRt_sxKAh_qXT2sTLuDWSY4HhLLcrA 1283
apex/op/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
apex/op/property_ops.py sha256=OpdHXbaHkhVZuuAc_64KPRwfordATAleMUGT6YJit4k 9920
apex/op/relaxation_ops.py sha256=JCgfQffmA1yvgVm_1Z_-uWkgju0AJuWq9gVUoK4Xvqk 4560
apex/op/utils.py sha256=n2Q-tcTTctTAbLE3Txf1-4mAPmSIL4K-a3YQEHKggAE 667
apex/superop/PropertyFlow.py sha256=kuKObXRspwKf9nP1448tNzQjtuHu3lrFTjS2B6rSr7E 6390
apex/superop/RelaxationFlow.py sha256=G17wQTZ2P-4w4kGJ8qOksPFlFmWKu4JGi5NzuTdNz_U 7906
apex/superop/SimplePropertySteps.py sha256=spqZ8q_KeocMrohoSQKHRjRaz3GQuXd88EGZOvQOGr4 8403
apex/superop/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
tests/context.py sha256=LMrnHB5y9jnpSXb5Oa_nTo0idyBO0DQkHhLzzdRyrx4 1735
tests/test_abacus.py sha256=XOgvrNwgh8nKcxiL3y6iDdAHcpHPKFD5iCd-UOMAxio 9661
tests/test_abacus_equi.py sha256=0Fd5LlGwX-TcFcf15LCBeXqoaL2HAFjyLI1N-M6VF0k 3569
tests/test_abacus_property.py sha256=sRW3o0FOKHnrAsRT4vFN0s-Xm4U-B-0E0L9tW7DoNZ8 13364
tests/test_elastic.py sha256=mMoKnS8e-_BYmeRNkGQFBlpFu_d6lSH0Ns2uPWYtj38 3131
tests/test_eos.py sha256=52bkAy9L_qnb-DhhWEoYgE44GVdBtUTrHA2DAVQE-iQ 3776
tests/test_gamma.py sha256=C-t_zScxVuTy91WchiMd3QucUWBee7b1F0s-jEhs8f0 4300
tests/test_interstitial.py sha256=6qEM9nyTLmm0bsnqwzkKmpMMjpRP1s7e4JuRFCmEPPs 3960
tests/test_lammps.py sha256=XcCuSi_7hxTeFWeWx5FtbFrV3G5NQS0BiX_RvbZ89Cs 3739
tests/test_make_prop.py sha256=ED0VjWVvtCC8YHA6SWtkYYgvZWrQdWwprM90o3p_w6o 3488
tests/test_mpdb.py sha256=8gHRsxRGbpG2Yt-OIVlKxmzuV2Oe0FXhiU-rn-MFIsA 1251
tests/test_ops.py sha256=KxO3gD56iRidxAOdCJPM0gvqAsBXHH12Z_1Dt6x3SOQ 6121
tests/test_phonon.py sha256=oAPNeIm5kGVuq7swfeLtOzmg5N6ECIkgdDAvI6oEclo 2902
tests/test_refine.py sha256=wTCYU-fYUEiAlY_ohEK7vvHqDrCPeoqtfNP91jPMeO4 3584
tests/test_surface.py sha256=CGg2ISDf9Wtdz0pWt8Y8Th-msof20ls7cpGKLPfZuBo 3863
tests/test_vacancy.py sha256=vAGhe_eY7QEuNP37EI2Ia2jIq85p8ictjbv0exzQcho 3430
tests/test_vasp.py sha256=oM0lGMYTxNdN-GYxFhEZoWnWKaiDMWoLsAdEf1wUuwQ 6164
tests/test_vasp_equi.py sha256=D03zw1AJ9ci5xG51VGrGNIODaTVrjeG7_qKsGv7rNDg 3142
tests/test_vasp_equi_std.py sha256=VpBxzVfJqxVhIL_imQNrJv2_RFL8zWIvJ_MtYZ78UhE 2503
tests/test_vasp_kspacing.py sha256=EuernrqnRC30TA4jKVzB6B6StiKU9XvM-Y9d9GDdXyI 806
apex_flow-1.1.6.dist-info/LICENSE sha256=DvGXv4GUO8Amqn0xMpJXLcL9eBkuPsY8mXzJ7NY4T7s 7650
apex_flow-1.1.6.dist-info/METADATA sha256=lzRkVROzlVBReV33nA_Ej_Zy0zvoG_4-HhCK7iaODWE 34307
apex_flow-1.1.6.dist-info/WHEEL sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ 92
apex_flow-1.1.6.dist-info/entry_points.txt sha256=mr2B7nSCRaUhEvU_8eFRv4tXuAenvOAbE8CpNskRQsM 44
apex_flow-1.1.6.dist-info/top_level.txt sha256=dbcAA-hcZ82d0KHDOK3w0c8mGJy_M2HHGxpEPoWmsCI 11
apex_flow-1.1.6.dist-info/RECORD — —

top_level.txt

apex
tests

entry_points.txt

[console_scripts]
apex = apex.__main__:main