make more examples pass argument tests #870
Conversation
Codecov Report
@@ Coverage Diff @@
## devel #870 +/- ##
=======================================
Coverage 38.11% 38.12%
=======================================
Files 99 99
Lines 17780 17782 +2
=======================================
+ Hits 6777 6779 +2
Misses 11003 11003
Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. |
dpgen/generator/arginfo.py
Outdated
|
|
||
| args = [ | ||
| Argument("ecut", int, optional=False, doc=doc_ecut), | ||
| Argument("ediff", float, optional=False, doc=doc_ediff), | ||
| Argument("kspacing", float, optional=False, doc=doc_kspacing), | ||
| Argument("mixingweight", float, optional=False, doc=doc_mixingweight), | ||
| Argument("kspacing", [float, int], optional=False, doc=doc_kspacing), |
There was a problem hiding this comment.
Why kspacing can be int?
There was a problem hiding this comment.
It's not clear to me if the following example is a typo or not. I am not familiar with siesta.
There was a problem hiding this comment.
It should be "kspacing" : 1.0,
|
Since these examples are modified to pass the current argument tests, are they still available for |
|
I don't think there are any differences in DP-GEN parameters between However, it should be a good idea to upgrade all DeePMD-kit parameters from 1.x to 2.x. |
No description provided.