About references

[jeanwsr]

The reference to 2nd order derivatives in README can be updated:

Yonghao Gu, Zhenyu Zhu, and Xin Xu. J. Chem. Theory Comput. 2021, 17, 8, 4860–4871. doi: 10.1021/acs.jctc.1c00457

Moreover, maybe we can maintain a map for the reference to each functional and print it out when executing dh, like

XC_DH_REF = {
'xyg3' : 'xxx'
}

[ajz34]

Sure! (XD) I may maintain this repo in a later time. API and logging logic could be still changed and discussed. Zhenyu Zhu, ajz34 Graduate Student in Fudan University, Shanghai Major in Physical Chemistry (Theoretical and Computational) https://ajz34.rtfd.io/ Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 11

…

________________________________ From: Shirong_Wang ***@***.***> Sent: Tuesday, November 16, 2021 2:04:12 PM To: ajz34/dh ***@***.***> Cc: Subscribed ***@***.***> Subject: [ajz34/dh] About references (Issue #3) The reference to 2nd order derivatives in README can be updated: Yonghao Gu, Zhenyu Zhu, and Xin Xu. J. Chem. Theory Comput. 2021, 17, 8, 4860–4871. doi: 10.1021/acs.jctc.1c00457<https://doi.org/10.1021/acs.jctc.1c00457> Moreover, maybe we can maintain a map for the reference to each functional and print it out when executing dh, like XC_DH_REF = { 'xyg3' : 'xxx' } — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub<#3>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/AFCXAAGOKSNP4NGUTL3S3UDUMHX5ZANCNFSM5IDNGHXQ>. Triage notifications on the go with GitHub Mobile for iOS<https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675> or Android<https://play.google.com/store/apps/details?id=com.github.android&referrer=utm_campaign%3Dnotification-email%26utm_medium%3Demail%26utm_source%3Dgithub>.