Merged
Conversation
Codecov Report
@@ Coverage Diff @@
## devel #1163 +/- ##
===========================================
- Coverage 75.66% 64.28% -11.39%
===========================================
Files 89 5 -84
Lines 7048 14 -7034
===========================================
- Hits 5333 9 -5324
+ Misses 1715 5 -1710 Continue to review full report at Codecov.
|
amcadmus
approved these changes
Sep 21, 2021
njzjz
added a commit
to njzjz/dpdata
that referenced
this pull request
Oct 8, 2021
amcadmus
pushed a commit
to deepmodeling/dpdata
that referenced
this pull request
Oct 10, 2021
* add deepmd/hdf5 format To support deepmodeling/deepmd-kit#1163. * bugfix * add an example
njzjz
pushed a commit
to njzjz/deepmd-kit
that referenced
this pull request
Sep 21, 2023
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
dpdata format will be provided later.
The advantage of hdf5 is that it only has one file for multi-systems containing many systems, so it will be easier to transfer between servers or share online.
File size
About the file size, take an example of
methane_v1:We can see HDF5 file will have no advantage if fully compressed, but it is smaller if not compressed. Also, compressing and decompressing a single file should be faster than compressing a lot of small files.
Usage
One can add a HDF5 file in the
systemslist in input JSON file.