Bálint Aradi

I am happy to hear, that it worked out.

For selecting the input file, we were once thinking about a prefix you can pass as command line argument, e.g. ``` dftb+ mycalc ``` which would then read `mycalc.dftb_in.hsd` and...

I had a look at it with a toy bash script as pre-processor. The ifort option seems to work somewhat differently from what is documented. It writes all the command...

Dear Luca, you can set the restart frequency, which would probably limit the nr. of images written in the xyz-file much more efficiently. Would that be an option for you?...

I think, it should be not too complicated to write a program, which reads in the input and calculates the maximal number of processes along one dimension of the 2D...

Cool, I am really looking forward to it!

Will be superseeded soon by a PR for writing this data into `results.tag`

Note, this had been incorporated into #1210 which will contain the further developments and restructurings.

I am wondering, how we can fix this. I unfortunately, do not have access to a FreeBSD machine at the moment. Do you install tblite first and then let DFTB+...

@FanGuozheng thanks, I can reproduce it, I'll try to fix it. @tsihyoung Thanks for the hints, they are very valuable. As almost all parts of DFTB+ work with the asymmetric...