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1.1 smatool-1.1-py3-none-any.whl

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Project: smatool
Version: 1.1
Filename: smatool-1.1-py3-none-any.whl
Download: [link]
Size: 125210
MD5: fe578bc8c6163e6ea9c29084a6e67455
SHA256: eda74a765164c0f66da75e242cdf6b28df8ff24451dcaac5f5d17de90b1768c1
Uploaded: 2025-03-29 17:38:48 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: smatool
Version: 1.1
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 (>=1.20.0)
Requires-Dist: scipy (>=1.11.0)
Requires-Dist: matplotlib (>=3.8.0)
Requires-Dist: pandas (>=1.3.6)
Requires-Dist: bottleneck (>=1.3.6)
Requires-Dist: spglib (>=2.1.0)
Requires-Dist: pymatgen (>=2023.10.11)
Requires-Dist: kaleido (>=0.2.1)
Requires-Dist: plotly (>=5.18.0)
Requires-Dist: ase (>=3.22.1)
Requires-Dist: catboost (>=1.2.2)
Requires-Dist: matminer (>=0.9.2)
Requires-Dist: scikit-learn (>=1.3.2)
Requires-Dist: tensorflow (>=2.16.1)
Requires-Dist: keras (>=3.0.5)
Requires-Dist: periodictable (>=1.7.0)
Requires-Dist: pygrace (>=1.4)
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: LICENSE_Main
[Description omitted; length: 10767 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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bck_euler_angles_rotation.py sha256=GPn2Yv70WFhvvnGYkNQqQVHv-vQCYD30yPMtHCUk3so 21479
bcksmatoolgui.py sha256=-lYD0kTh72H_Nq3o9Yb-sjHH6dmoA9LCAMzT1GJYm9k 23253
calculate_stress.py sha256=NG8fo9HZjlyzybA9hhVCeGWw7Wz3IlWjw24tDBgWW1s 21707
calculate_stress_qe.py sha256=DINvQOUDA4jT_Eu-ay6PQe_9yTwtqwnYgp-17Ch5kmk 13936
elastic_energydensity.py sha256=z0m1e6lViFKOTtvHn2csSHXqsjkdMkoS-ySOphhNC-8 40908
euler_angles_rotation.py sha256=ckTRQgq4L2XQzMtNZxJJ5IwkDQAkDMrcVAfbD5oFfhA 17806
modify_incar.py sha256=v4EKDym4eL6eZq0wyKWfkRxsjvu5ajCclihmt8xgO0Y 2836
optimize_struct.py sha256=SY4UxbPoklFz9DqANnGn4oOW8Lu533p1Mkfx58eY2-s 14560
optimize_struct_qe.py sha256=bZbNJzRXsOkFX0Ejro8zBP-Z1-Jm3MRLOG-_Jv6ktG4 16576
process_stress.py sha256=2YrDChFhg7AF8nPZWLjNP2D9CFH0h_HHvM1lEMhlebQ 24811
process_struct.py sha256=ijhBHP8kOo47CyzYp3J29A3r72x62lCSp_SeYZ5nXQk 1827
read_write.py sha256=ebM8nTG9YVcR1L0b6zv6qA-i_bxQjs2ztpwEA_B1yzc 16419
shear_tensile_constraint.py sha256=WFQGuYehu9nDmHEgE5KDMyYjOOxJHikIIZ2_DBmHsJI 2520
smatoolgui.py sha256=Z_SGgmlo3yoL0cgMsc2xb8xrvnYvsz0NSsnb8N2-yWQ 38742
smatoolgui_standalone.py sha256=DrOQR4KOdwVwwoERf0o9TOFtIyQAYVO7IisuHvyZ9qU 36162
stress_read_write.py sha256=qmwlncwTNab9QkzWLi3fo-RKU5m1OEJYTbcYK7JldzA 9002
thermocalc.py sha256=mKr-EazPoPqvb5KAOrXolyCz4ZF4DkJutfv4LJtnwdg 19690
write_inputs.py sha256=22YSs4K4eqs6xne2yKSDvjnNfOdPshPYaczGlPBKHWI 21215
smatool-1.1.data/scripts/smatool sha256=OxhLUqY1q1DF0-M1BvfcJ84XwPSqZxeTntuQZ3bwLNQ 49853
smatool-1.1.dist-info/LICENSE sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
smatool-1.1.dist-info/LICENSE_Main sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY 35149
smatool-1.1.dist-info/METADATA sha256=LA0UhqGMFFsmsulVTEm1QjjEgxAB44qv--cB4p5xti8 11735
smatool-1.1.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
smatool-1.1.dist-info/top_level.txt sha256=FNjAThTzVfc1nTW2CM4miieulEEEPrEaxmWOL0IQ6sc 319
smatool-1.1.dist-info/RECORD — —

top_level.txt

__init__
bck_euler_angles_rotation
bcksmatoolgui
calculate_stress
calculate_stress_qe
elastic_energydensity
euler_angles_rotation
modify_incar
optimize_struct
optimize_struct_qe
process_stress
process_struct
read_write
shear_tensile_constraint
smatoolgui
smatoolgui_standalone
stress_read_write
thermocalc
write_inputs