gaussian-step
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2024.5.8 | gaussian_step-2024.5.8-py2.py3-none-any.whl |
Wheel Details
Project: | gaussian-step |
Version: | 2024.5.8 |
Filename: | gaussian_step-2024.5.8-py2.py3-none-any.whl |
Download: | [link] |
Size: | 46815 |
MD5: | af529b8f93a00636baa8c984a27b53dd |
SHA256: | 163cc8117fbee43f0787f1ed99668774ed665126b179923c9821e62a3857c4ee |
Uploaded: | 2024-05-09 10:32:15 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.43.0) |
Root-Is-Purelib: | true |
Tag: | py2-none-any |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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gaussian_step/__init__.py | sha256=4Ufc47lfkhpJyngkdoeo2gRrwbU1LSs0B3x7c8dQr-A | 1301 |
gaussian_step/_version.py | sha256=uKgQkeaFVmVru-zb9Ve9FzrwbqtqNAHNy0FroLWtaz8 | 500 |
gaussian_step/energy.py | sha256=zqryiGN8kBSTYvBewIfDcennV7wCy-8ghWIKRPTuoOw | 21579 |
gaussian_step/energy_parameters.py | sha256=TObDfMjeU-tX4NHVPOiDGDJEtSX9QMc-_Jur4YZolWk | 10863 |
gaussian_step/energy_step.py | sha256=vtx0Tczfxw95tyZCB3yHzpq-UtcGnvDWudMX03KFNZM | 949 |
gaussian_step/gaussian.py | sha256=KJmu8UIG0XEefCxTnE04x9m638RKJRjMXheki36k5Cc | 10849 |
gaussian_step/gaussian_parameters.py | sha256=lqg-f2mOR5GQ8OL7zk5NOmUP8o4HiunuxxlGmQ1N_HE | 3769 |
gaussian_step/gaussian_step.py | sha256=ePiCWO0aAX7T-z8_Ry0jOP_QHWcdFPkLBzD5Q6QaTMI | 2929 |
gaussian_step/metadata.py | sha256=8zQRMOxsljmFv7KTzmvrckbPBe82B1EaQGgjT5gykoY | 36943 |
gaussian_step/optimization.py | sha256=StrdOFaOVhTX-XqCfPuPfWXPaFiYINZI7-5IYOOohZ8 | 7389 |
gaussian_step/optimization_parameters.py | sha256=0Qf1PynYDv6pihpeYk9wMU5vvoJjsENjgcA1Rtx7SDc | 3233 |
gaussian_step/optimization_step.py | sha256=TSKPPnMlW9xAkEw3y1LYnYsB-Hw4LgnzsNdN1BW8yes | 990 |
gaussian_step/substep.py | sha256=PCdlqU-k_-asgKU_he6-NttdDpxqoO-4vIhEr4w4wuI | 39787 |
gaussian_step/tk_energy.py | sha256=-0lTlY0Va7IQbXW1Jard3H2gytDf9a51BPSxEy010cc | 11977 |
gaussian_step/tk_gaussian.py | sha256=ZQEYjkQaKc6wyGxdiGX36YuIibPpV3EnLzwaw82U0xg | 6724 |
gaussian_step/tk_optimization.py | sha256=3PfEbAuxueg5FtVRV6iokVswDbUz0m2lX5rjmu5u0FE | 4468 |
gaussian_step/data/gaussian.ini | sha256=U56inGcksHFncb9jHtEd-Dbzv9C1b5ad_pq4i9cyCc8 | 2566 |
gaussian_step/data/properties.csv | sha256=DexBJ_9j-vULJaQJQmplyUCEEeNRc34n_MVh3Sni2WE | 127 |
gaussian_step/data/references.bib | sha256=4ygYZlGa27LrikmfH9WS_SiDcWsduAhKO49lTywF1-o | 4827 |
gaussian_step-2024.5.8.dist-info/AUTHORS.rst | sha256=8w2PLQsndtT2-pWCCd_kbeuPCtBikkHZRXCbtXeEKws | 122 |
gaussian_step-2024.5.8.dist-info/LICENSE | sha256=rqT5rYaXVBcrsorOT61AaE8Aj3-gGnqf5vHslZSk9EE | 1519 |
gaussian_step-2024.5.8.dist-info/METADATA | sha256=SfzXGtca858k7bSnKGu-licDNrD4ujw7L9mEnvJfOcY | 5447 |
gaussian_step-2024.5.8.dist-info/WHEEL | sha256=DZajD4pwLWue70CAfc7YaxT1wLUciNBvN_TTcvXpltE | 110 |
gaussian_step-2024.5.8.dist-info/entry_points.txt | sha256=py3DRLqPon6fEvcRmxqsWjfUNGq-xHbfQ46oiGOEPfM | 339 |
gaussian_step-2024.5.8.dist-info/top_level.txt | sha256=NWk1oCXrv6m9NtFlin8hrcfnw9Vz0o9vNa1sLsh-VrA | 14 |
gaussian_step-2024.5.8.dist-info/zip-safe | sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs | 1 |
gaussian_step-2024.5.8.dist-info/RECORD | — | — |
top_level.txt
gaussian_step
entry_points.txt
Gaussian = gaussian_step:GaussianStep
Energy = gaussian_step:EnergyStep
Optimization = gaussian_step:OptimizationStep
Energy = gaussian_step:EnergyStep
Optimization = gaussian_step:OptimizationStep
Gaussian = gaussian_step:GaussianStep