Prof. Gabor Csanyi

Verbosity done properly.. :) -- Gábor On 9 November 2017 at 14:42:14, James Kermode ([email protected](mailto:[email protected])) wrote: > > +1 for MicroLogging, from a quick look > > > — >...

Thanks. So are there two issues here? one is the cutoff the other is the ambiguous property read? Note that ASAP didn't put the cutoffs in the info line, I...

Could you put back the cutoff argument then? The problem is that asap chromoscope export is just broken for per-atom descriptors

@ceriottm scripy doesn't deal with the cutoff as far as I can tell

Asap just stops with a syntax error. The problem is not on the chemiscope side

No not as a library. I understand that these are scripts. I would like these scripts to be installed in "standard" places, so that they can be found on the...

a good test is whether the system() method from python can execute them... -- Gábor > On 31 Jan 2020, at 19:28, Gabor Csanyi wrote: > > No not as...

I can install the package, but I can’t then find the commands: docker:~$ pip install -i https://test.pypi.org/simple/ ASAP Looking in indexes: https://test.pypi.org/simple/ Collecting ASAP Downloading https://test-files.pythonhosted.org/packages/ff/5b/9c214122c76f847d8643f9b85c578fbd3a6d8258c68e9c90038b467931f3/ASAP-0.0.1-py3-none-any.whl (55 kB) |████████████████████████████████| 55...

yes - they are now in /usr/local/bin. Do they always end up there, or do you have a way of figuring out where the current python environment likes to keep...

this is my python error: ``` Gabors-MacBook-Pro-2:Downloads gabor$ asap map -f ASAP-desc.xyz -o chemiscope -dm [SOAP-n4-l2-c3.5-g0.5] -ua pca -d 2 load xyz file: ASAP-desc.xyz , a total of 4 frames...