#CompChem for life
B3LYP on top of Pymatgen PRs 👀.
And a little 🦞 too!
13/2/26, 10:26 pm·0 reposts·1 like
Yes! 🦞, 🦞🐍.
%20--%3E%3Cmetadata%20xmlns%3Ardf%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2F02%2F22-rdf-syntax-ns%23%22%20xmlns%3Axsi%3D%22http%3A%2F%2Fwww.w3.org%2F2001%2FXMLSchema-instance%22%20xmlns%3Adc%3D%22http%3A%2F%2Fpurl.org%2Fdc%2Felements%2F1.1%2F%22%20xmlns%3Adcterms%3D%22http%3A%2F%2Fpurl.org%2Fdc%2Fterms%2F%22%3E%3Crdf%3ARDF%3E%3Crdf%3ADescription%3E%3Cdc%3Atitle%3EShadows%3C%2Fdc%3Atitle%3E%3Cdc%3Acreator%3EDiceBear%3C%2Fdc%3Acreator%3E%3Cdc%3Asource%20xsi%3Atype%3D%22dcterms%3AURI%22%3Ehttps%3A%2F%2Fwww.dicebear.com%3C%2Fdc%3Asource%3E%3Cdcterms%3Alicense%20xsi%3Atype%3D%22dcterms%3AURI%22%3Ehttps%3A%2F%2Fcreativecommons.org%2Fpublicdomain%2Fzero%2F1.0%2F%3C%2Fdcterms%3Alicense%3E%3Cdc%3Arights%3E%E2%80%9CShadows%E2%80%9D%20(https%3A%2F%2Fwww.dicebear.com)%20by%20%E2%80%9CDiceBear%E2%80%9D%2C%20licensed%20under%20%E2%80%9CCC0%201.0%E2%80%9D%20(https%3A%2F%2Fcreativecommons.org%2Fpublicdomain%2Fzero%2F1.0%2F)%3C%2Fdc%3Arights%3E%3C%2Frdf%3ADescription%3E%3C%2Frdf%3ARDF%3E%3C%2Fmetadata%3E%3Cdefs%3E%3Cg%20id%3D%22shoulders-uneven-294dfe50%22%3E%3Cpath%20d%3D%22M6%2050C6%2015%2020%200%2039%201c18%201%2033%2018%2033%2049Z%22%20fill%3D%22%235e3b87%22%2F%3E%3C%2Fg%3E%3Cg%20id%3D%22tops-bowler-294dfe50%22%3E%3Cg%3E%3Cellipse%20cx%3D%2228%22%20cy%3D%2221%22%20rx%3D%2226%22%20ry%3D%224.5%22%20fill%3D%22%235e3b87%22%2F%3E%3Cpath%20d%3D%22M14%2021a14%2014%200%200%201%2028%200Z%22%20fill%3D%22%235e3b87%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20id%3D%22heads-tall-294dfe50%22%3E%3Cuse%20transform%3D%22matrix(.89%200%200%20.89%205.95%20-.32)%20rotate(6%2C%2028%2C%2025)%22%20href%3D%22%23tops-bowler-294dfe50%22%2F%3E%3Cellipse%20cx%3D%2231%22%20cy%3D%2237%22%20rx%3D%2217%22%20ry%3D%2223%22%20fill%3D%22%235e3b87%22%2F%3E%3C%2Fg%3E%3CclipPath%20id%3D%22clip-294dfe50%22%3E%3Crect%20width%3D%22100%22%20height%3D%22100%22%20rx%3D%220%22%20ry%3D%220%22%2F%3E%3C%2FclipPath%3E%3C%2Fdefs%3E%3Cg%20clip-path%3D%22url(%23clip-294dfe50)%22%3E%3Crect%20width%3D%22100%22%20height%3D%22100%22%20fill%3D%22%23ede3e9%22%2F%3E%3Cuse%20transform%3D%22translate(11%2051)%22%20href%3D%22%23shoulders-uneven-294dfe50%22%2F%3E%3Cuse%20transform%3D%22translate(19%201)%22%20href%3D%22%23heads-tall-294dfe50%22%2F%3E%3C%2Fg%3E%3C%2Fsvg%3E)
%20--%3E%3Cmetadata%20xmlns%3Ardf%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2F02%2F22-rdf-syntax-ns%23%22%20xmlns%3Axsi%3D%22http%3A%2F%2Fwww.w3.org%2F2001%2FXMLSchema-instance%22%20xmlns%3Adc%3D%22http%3A%2F%2Fpurl.org%2Fdc%2Felements%2F1.1%2F%22%20xmlns%3Adcterms%3D%22http%3A%2F%2Fpurl.org%2Fdc%2Fterms%2F%22%3E%3Crdf%3ARDF%3E%3Crdf%3ADescription%3E%3Cdc%3Atitle%3EShadows%3C%2Fdc%3Atitle%3E%3Cdc%3Acreator%3EDiceBear%3C%2Fdc%3Acreator%3E%3Cdc%3Asource%20xsi%3Atype%3D%22dcterms%3AURI%22%3Ehttps%3A%2F%2Fwww.dicebear.com%3C%2Fdc%3Asource%3E%3Cdcterms%3Alicense%20xsi%3Atype%3D%22dcterms%3AURI%22%3Ehttps%3A%2F%2Fcreativecommons.org%2Fpublicdomain%2Fzero%2F1.0%2F%3C%2Fdcterms%3Alicense%3E%3Cdc%3Arights%3E%E2%80%9CShadows%E2%80%9D%20(https%3A%2F%2Fwww.dicebear.com)%20by%20%E2%80%9CDiceBear%E2%80%9D%2C%20licensed%20under%20%E2%80%9CCC0%201.0%E2%80%9D%20(https%3A%2F%2Fcreativecommons.org%2Fpublicdomain%2Fzero%2F1.0%2F)%3C%2Fdc%3Arights%3E%3C%2Frdf%3ADescription%3E%3C%2Frdf%3ARDF%3E%3C%2Fmetadata%3E%3Cdefs%3E%3Cg%20id%3D%22shoulders-narrow-40d5ba7d%22%3E%3Cpath%20d%3D%22M11%2050C11%2018%2023.6%200%2039%200s28%2018%2028%2050Z%22%20fill%3D%22%23345945%22%2F%3E%3C%2Fg%3E%3Cg%20id%3D%22tops-waves-40d5ba7d%22%3E%3Cg%3E%3Ccircle%20cx%3D%2214.5%22%20cy%3D%2223.5%22%20r%3D%227%22%20fill%3D%22%23345945%22%2F%3E%3Ccircle%20cx%3D%2227%22%20cy%3D%2219%22%20r%3D%227.5%22%20fill%3D%22%23345945%22%2F%3E%3Ccircle%20cx%3D%2239%22%20cy%3D%2222.5%22%20r%3D%228%22%20fill%3D%22%23345945%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20id%3D%22heads-taper-40d5ba7d%22%3E%3Cuse%20transform%3D%22translate(3%203)%20rotate(3%2C%2028%2C%2025)%22%20href%3D%22%23tops-waves-40d5ba7d%22%2F%3E%3Cpath%20d%3D%22M31%2019c12%200%2019%207%2019%2016%200%2012-9%2022-19%2022S12%2047%2012%2035c0-9%207-16%2019-16%22%20fill%3D%22%23345945%22%2F%3E%3C%2Fg%3E%3CclipPath%20id%3D%22clip-40d5ba7d%22%3E%3Crect%20width%3D%22100%22%20height%3D%22100%22%20rx%3D%220%22%20ry%3D%220%22%2F%3E%3C%2FclipPath%3E%3C%2Fdefs%3E%3Cg%20clip-path%3D%22url(%23clip-40d5ba7d)%22%3E%3Crect%20width%3D%22100%22%20height%3D%22100%22%20fill%3D%22%23ede3e9%22%2F%3E%3Cuse%20transform%3D%22translate(11%2051)%22%20href%3D%22%23shoulders-narrow-40d5ba7d%22%2F%3E%3Cuse%20transform%3D%22translate(19%201)%22%20href%3D%22%23heads-taper-40d5ba7d%22%2F%3E%3C%2Fg%3E%3C%2Fsvg%3E)