-
I want to discuss the determination of the `log_level` by `argparse`, the code is in the following
https://github.com/deepmodeling/deepmd-kit/blob/18ba5b19d8d2d237e600c6478ba8c8ba59e48d7b/source/trai…
-
Can you provide the an example of coord.xyz for ipi example? Such as water model as you used in paper.
Besides, deepmd-kit does not support running on macos, aren't they?
I checked the code on `Mod…
-
hello
I compiled the deepmd-kit (using tensorflow-1.5.0 and gnu-4.9.3) and made the lammps module. the serial version of lammps without the deepmd module compiles fine.
however when I tried to com…
-
Hi,
I installed deepmd on mac using
`conda install -c conda-forge deepmd-kit`
and I can confirm that it is installed using
```
conda list deepmd
# packages in environment at /Users/Zezhong/…
-
I set the typemap in param.json as ["Co","Ni"], and use a dataset of bulk Ni. Then ntypes error happens!
```
Traceback (most recent call last):
File "/nfs-share/home/1800011848/miniconda3/bin/dp"…
-
https://github.com/deepmodeling/deepmd-kit/blob/2111ebb82d4401fbfcbff92691c417db4d961f89/source/lmp/pair_nnp.cpp#L44
I think the communicator in this line will not work when lammps is executed with…
-
- [x] https://en.wikipedia.org/wiki/Comparison_of_software_for_molecular_mechanics_modeling
- [x] http://www.sklogwiki.org/SklogWiki/index.php/Materials_modelling_and_computer_simulation_codes
- …
-
I have sucefully installed dpgen, but I encount this issue when I run my jobs. Ang suggestiosn on it. Thanks!
Traceback (most recent call last):
File "/home1/04587/tfcao/.local/bin/dpgen", line 8,…
-
Please make sure that this is a build/installation issue. As per our [GitHub Policy](https://github.com/tensorflow/tensorflow/blob/master/ISSUES.md), we only address code/doc bugs, performance issues,…
-
I have installed deepmd-kit by "conda install", and I create a virtual environment, deepmd-kit is installed in it. How can I install deepgen in this conda virtual environment ?