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{
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"conceptdoi" : " 10.5281/zenodo.7789853" ,
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- "date" : " 2025-08-06T05:36:53.183539 +00:00" ,
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- "doi" : " 10.5281/zenodo.16750420 " ,
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+ "date" : " 2025-08-07T05:35:39.218008 +00:00" ,
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+ "doi" : " 10.5281/zenodo.16757787 " ,
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"metadata" : {
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"3rd-party plug-in" : {
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"pyxtal-step" : {
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"channel" : " pypi" ,
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"description" : " A SEAMM plug-in for calculating energy profiles along coordinates" ,
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"type" : " MolSSI plug-in" ,
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- "version" : " 2025.8.5 "
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+ "version" : " 2025.8.6 "
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},
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"fhi-aims-step" : {
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"channel" : " pypi" ,
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"channel" : " pypi" ,
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"description" : " A SEAMM plug-in to read structures from file formats common in computational chemistry" ,
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"type" : " MolSSI plug-in" ,
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- "version" : " 2025.5.14 "
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+ "version" : " 2025.8.6 "
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},
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"seamm" : {
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"channel" : " conda-forge" ,
Original file line number Diff line number Diff line change @@ -51,7 +51,7 @@ dependencies:
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- custom-step==2023.12.12
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- dftbplus-step==2025.3.7
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- diffusivity-step==2024.7.30.1
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- - energy-scan-step==2025.8.5
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+ - energy-scan-step==2025.8.6
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- fhi-aims-step==2024.10.31
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- forcefield-step==2025.7.22
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- from-smiles-step==2025.5.14
@@ -66,7 +66,7 @@ dependencies:
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- quickmin-step==2025.2.24
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- rdkit-step==2023.2.22
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- reaction-path-step==2024.12.14
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- - read-structure-step==2025.5.14
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+ - read-structure-step==2025.8.6
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- set-cell-step==2021.10.14
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- strain-step==2022.11.7
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- structure-step==2025.5.14
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