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Title: two photon absorption cross section · Issue #45 · dralgroup/mlatom · GitHub

Open Graph Title: two photon absorption cross section · Issue #45 · dralgroup/mlatom

X Title: two photon absorption cross section · Issue #45 · dralgroup/mlatom

Description: Does MLAtom still support the two photon absorption cross section (https://xacs.xmu.edu.cn/docs/mlatom/cl_manual_simulations.html#two-photon-absorption-cross-sections) ? I couldn’t get it to run with the input script: MLTPA SMILESfile='O...

Open Graph Description: Does MLAtom still support the two photon absorption cross section (https://xacs.xmu.edu.cn/docs/mlatom/cl_manual_simulations.html#two-photon-absorption-cross-sections) ? I couldn’t get it to run wi...

X Description: Does MLAtom still support the two photon absorption cross section (https://xacs.xmu.edu.cn/docs/mlatom/cl_manual_simulations.html#two-photon-absorption-cross-sections) ? I couldn’t get it to run wi...

Opengraph URL: https://github.com/dralgroup/mlatom/issues/45

X: @github

direct link

Domain: github.com


Hey, it has json ld scripts:
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two photon absorption cross sectionhttps://github.com/dralgroup/mlatom/issues/45#top
https://github.com/renjieli08
renjieli08https://github.com/renjieli08
on Jul 27, 2025https://github.com/dralgroup/mlatom/issues/45#issue-3267330247
https://xacs.xmu.edu.cn/docs/mlatom/cl_manual_simulations.html#two-photon-absorption-cross-sectionshttps://xacs.xmu.edu.cn/docs/mlatom/cl_manual_simulations.html#two-photon-absorption-cross-sections
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