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Modules avx512: Difference between revisions
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| align="center" | [https://www.synopsys.com/silicon/quantumatk.html quantumatk] | | align="center" | [https://www.synopsys.com/silicon/quantumatk.html quantumatk] | ||
| align="center" | - | | align="center" | - | ||
| align="center" | 2019.12 | | align="center" | 2019.12, 2022.03 | ||
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: QuantumATK is a complete atomistic simulation toolkit. QuantumATK addresses key applications in the semiconductor industry and is a core component of the Synopsys Design-Technology Co-Optimization (DTCO) solution. Atomic-scale modeling tools in QuantumATK range from classical force fields for handling large and to some extent more realistic materials systems to ab initio tools that provide highly accurate results for smaller systems. Homepage: https://www.synopsys.com/silicon/quantumatk.html URL: https://www.synopsys.com/silicon/quantumatk.html<br /><br /><br /></div> | | <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: QuantumATK is a complete atomistic simulation toolkit. QuantumATK addresses key applications in the semiconductor industry and is a core component of the Synopsys Design-Technology Co-Optimization (DTCO) solution. Atomic-scale modeling tools in QuantumATK range from classical force fields for handling large and to some extent more realistic materials systems to ab initio tools that provide highly accurate results for smaller systems. Homepage: https://www.synopsys.com/silicon/quantumatk.html URL: https://www.synopsys.com/silicon/quantumatk.html<br /><br /><br /></div> | ||
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| align="center" | bio | | align="center" | bio | ||
| align="center" | 3.0.2, 3.2.0, 3.2.1, 3.2.2, 4.0.0 | | align="center" | 3.0.2, 3.2.0, 3.2.1, 3.2.2, 4.0.0 | ||
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Trinotate is a comprehensive annotation suite designed for automatic functional annotation of transcriptomes, particularly de novo assembled transcriptomes, from model or non-model organisms. Homepage: https://trinotate.github.io/ URL: https://trinotate.github.io/ Extensions: CGI-4. | | <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: Trinotate is a comprehensive annotation suite designed for automatic functional annotation of transcriptomes, particularly de novo assembled transcriptomes, from model or non-model organisms. Homepage: https://trinotate.github.io/ URL: https://trinotate.github.io/ Extensions: CGI-4.57, Text::NSP-1.31 Keyword:bio<br /><br /><br /></div> | ||
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| align="center" | [https://triqs.github.io/triqs triqs] | | align="center" | [https://triqs.github.io/triqs triqs] | ||
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| align="center" | chem | | align="center" | chem | ||
| align="center" | 6.3.0, 6.3.3, 6.4.0, 6.4.1, 6.5.0, 6.5.1 | | align="center" | 6.3.0, 6.3.3, 6.4.0, 6.4.1, 6.5.0, 6.5.1 | ||
| <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: xtb - Extended tight-binding semi-empirical quantum mechanics Homepage: https://github.com/grimme-lab/xtb URL: https://github.com/grimme-lab/xtb Compatible modules: python/3.8, python/3.9, python/3.10 Extensions: ase-3.22.1, Pint-0.19.2, pydantic-1.9.1, qcelemental-0.24.0, xtb-6.5. | | <div class="mw-collapsible mw-collapsed" style="white-space: pre-line;"><br />Description: xtb - Extended tight-binding semi-empirical quantum mechanics Homepage: https://github.com/grimme-lab/xtb URL: https://github.com/grimme-lab/xtb Compatible modules: python/3.8, python/3.9, python/3.10 Extensions: ase-3.22.1, Pint-0.19.2, pydantic-1.9.1, qcelemental-0.24.0, xtb-6.5.0 Keyword:chem<br /><br /><br /></div> | ||
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| align="center" | [https://github.com/xtensor-stack/xtensor xtensor] | | align="center" | [https://github.com/xtensor-stack/xtensor xtensor] | ||