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1.0 smatool-1.0-py3-none-any.whl

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Project: smatool
Version: 1.0
Filename: smatool-1.0-py3-none-any.whl
Download: [link]
Size: 65547
MD5: c32f6f8b6847040106dc3779939bd5f1
SHA256: 4d9ec4d2b17baa0f6846c2eaca0cd90ca4f17384f0dc113adc7a2c086782f471
Uploaded: 2024-01-13 23:17:53 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: smatool
Version: 1.0
Summary: "SMATool - Automated toolkit for computing zero and finite-temperature strength of materials",
Author: Chinedu Ekuma
Author-Email: cekuma1[at]gmail.com
Home-Page: https://sourceforge.net/projects/smatool/
License: GNU GPL version 3
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib
Requires-Dist: pandas
Requires-Dist: spglib
Requires-Dist: ase
Requires-Dist: catboost
Requires-Dist: pymatgen
Requires-Dist: matminer
Requires-Dist: scikit-learn
Requires-Dist: periodictable
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 6996 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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calculate_stress.py sha256=SPeKJ8iFW5EzMqbw_x5ULSWZTmIRcjJtKDztFBQtu4M 18942
calculate_stress_qe.py sha256=yZxxEhMQKtRdIolAI9yEyAOLQqagQ54prRCSghp3-4E 16635
elastic_energydensity.py sha256=M1Hz2E37aIvWppIXtK4NT7RBV_4ByhNwgakifsEjVUA 12787
euler_angles_rotation.py sha256=HYomHF3CHpmJ4kNpka1ATU4qYfUVuFa6bW0EiFAGC1Q 16510
get_youngs_modulus.py sha256=FY8pOUaZAeoE0G8m8F912Dgb46x4Md-LZiQtEpcAY-M 3276
modify_incar.py sha256=3kq5sxg9yR4AulQ9MROT2O5QQfck_AefrCJ1rzOHMbc 2852
optimize_struct.py sha256=ZNCq07-5TJq-JGV5u05MkQeKsZALO8EVWN4T3MuDVgM 13339
optimize_struct_qe.py sha256=BPBfjh1QYZwmmQ_C54Pr1I6frYOLQ42Ki-Df57CLvkQ 14926
process_stress.py sha256=IrzSrRIgo94WJQUtmKc_EYa-S0f1P-S2VKf4FlgCOyc 10949
process_struct.py sha256=ijhBHP8kOo47CyzYp3J29A3r72x62lCSp_SeYZ5nXQk 1827
read_write.py sha256=53I7EU4Q4rioR4mZC9fFwEBSVtRQFwLBOu77hBdzXNY 13443
shear_tensile_constraint.py sha256=WFQGuYehu9nDmHEgE5KDMyYjOOxJHikIIZ2_DBmHsJI 2520
stress_read_write.py sha256=qTLrWp2qXZi0ZCJVu-oUp83lg95sELqBQkpnEZqlvpE 8933
write_inputs.py sha256=sX1yR40jJFMluG6VarN_J4Oifv3Z0pDP8xM3G8-7Z6E 21758
smatool-1.0.data/scripts/smatool sha256=tzSDGflztDdRZ4L_CHvlVEDRUJpEOWIyDhPFOAsNcu0 17876
smatool-1.0.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
smatool-1.0.dist-info/METADATA sha256=YT1z6pzIWs9rz12a7sAdNj2idk6hg02IN3nkW5g7gWY 7606
smatool-1.0.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
smatool-1.0.dist-info/top_level.txt sha256=xMj6N5R2p_fpHcnkixpEB3djci3fq11eLYypfDJSMXU 254
smatool-1.0.dist-info/RECORD — —

top_level.txt

__init__
calculate_stress
calculate_stress_qe
elastic_energydensity
euler_angles_rotation
get_youngs_modulus
modify_incar
optimize_struct
optimize_struct_qe
process_stress
process_struct
read_write
shear_tensile_constraint
stress_read_write
write_inputs