Taoni Bao
Taoni Bao
I encountered the same issue with not being able to access SSID/BSSID information. Then I found a discussion related to this on the Apple Developer Forums: [CoreWLAN returning null SSID...
The implementation for multi-k is not yet complete and must wait for other refactoring tasks to be finished (for example, getting rid of class `LocalOrbitalCharge`).
@hongriTianqi This has already been implemented, as you may have just seen in the Feishu doc (which includes a detailed benchmark with VASP). The PR will follow next week.
> Sorry, I was wrong about the version. There are two different problems: The first is wrong output of Sk, it occurs after version 3.5.1 in tddft calculation. According to...
> @AsTonyshment Actually, `LOC` class has been replaced by `DensityMatrix` class, and only use for `out_dm` and EXX calculations now. I think this class will be deleted soon. Why do...
This might be a problem related to ASan and Linux kernel.
I see. I'll try to use the `gcc`-compiled version.
@1041176461 In my impression, for TDDFT calculations, if a job restart is needed, you should set `out_wfc_lcao=1` during the calculation, and then you can continue the calculation by setting `md_restart=1`....
The restart logic was written by @lyb9812. Maybe you can explain about this?
After a thorough investigation, I have summarized the following restart calculation scheme suitable for RT-TDDFT: 1. After the calculation is interrupted, it is best not to restart the calculation in...