Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / deepmodeling/dpdata issues and pull requests
#304 - add Minimizer plugin and System.minimize method
Pull Request -
State: closed - Opened by njzjz over 2 years ago
- 1 comment
#296 - [BUG] Read `qe/cp/traj` with unit `angstrom` without `.cel` file
Issue -
State: open - Opened by LavendaRaphael over 2 years ago
Labels: bug, qe
#294 - discriminate frames with virials labels in Multisystem class
Pull Request -
State: open - Opened by PKUfjh over 2 years ago
- 2 comments
#276 - supported non-orthogonal cells for amber/md
Pull Request -
State: open - Opened by njzjz over 2 years ago
- 1 comment
#274 - [BUG] _!!!The newest dpdata can not read vasp6.3.0 machine learning molecular dynamic OUTCAR to make a train set!!!_
Issue -
State: closed - Opened by woyolo990422 over 2 years ago
- 3 comments
Labels: bug, vasp
#268 - [BUG] issue with format 'qe/pw/scf'
Issue -
State: closed - Opened by zyliu06 over 2 years ago
- 3 comments
Labels: bug, qe
#255 - The trouble encountered in extracting data from 'OUTCAR'
Issue -
State: closed - Opened by Superionichuan over 2 years ago
- 2 comments
Labels: vasp
#241 - Dpdata is not compatible with vasp6.3
Issue -
State: closed - Opened by WU2JING over 2 years ago
- 2 comments
Labels: bug, vasp
#236 - add reading cp2k 8.2 output
Pull Request -
State: closed - Opened by dmh1998dmh almost 3 years ago
- 5 comments
#212 - [BUG] `virials` issue in vasprun.xml
Issue -
State: closed - Opened by hezhengda almost 3 years ago
- 1 comment
Labels: bug, vasp
#210 - Failed to read cp2k aimd files - energy difference between xyz and log
Issue -
State: closed - Opened by TinacciL almost 3 years ago
- 4 comments
Labels: invalid, cp2k
#196 - Error with new version of CP2K package
Issue -
State: closed - Opened by fmatusalem about 3 years ago
- 4 comments
Labels: bug, cp2k
#185 - Problem reading multiple OUTCAR files
Issue -
State: closed - Opened by Miserablegit75 about 3 years ago
- 2 comments
Labels: wontfix
#173 - After loading cp2k data, the result is empty
Issue -
State: closed - Opened by Roy-Kid about 3 years ago
- 1 comment
Labels: invalid, cp2k
#170 - [Feature Request] Add unit tests
Issue -
State: closed - Opened by njzjz about 3 years ago
Labels: enhancement
#167 - Dpdata with DFTB+
Issue -
State: closed - Opened by zcb-code over 3 years ago
- 4 comments
Labels: enhancement
#161 - Automatically trigger virtual environment packing
Issue -
State: closed - Opened by tuoping over 3 years ago
Labels: enhancement
#160 - Automatize virtual environment packing with pypi
Issue -
State: closed - Opened by tuoping over 3 years ago
Labels: enhancement
#159 - Automatize virtual environment packing with conda
Issue -
State: closed - Opened by tuoping over 3 years ago
Labels: enhancement
#152 - [Feature Request] Converting OUTCAR not fully successful when NWRITE is specified in INCAR
Issue -
State: closed - Opened by DingChangjie over 3 years ago
- 2 comments
Labels: enhancement, vasp
#148 - [BUG] Failure in Gaussian's parser
Issue -
State: closed - Opened by Zhang-pchao over 3 years ago
- 10 comments
Labels: bug, gaussian
#146 - The dpdata is not supported with the vasp6.2.0 for make data set.
Issue -
State: closed - Opened by zcb-code over 3 years ago
- 2 comments
Labels: bug, vasp
#139 - Failed to read cp2k aimd files from restarted files
Issue -
State: closed - Opened by dmh1998dmh over 3 years ago
- 3 comments
Labels: bug, cp2k
#130 - Added the possibility of reading compressed vasprun.xml files.
Pull Request -
State: open - Opened by hyllios over 3 years ago
- 1 comment
#126 - The cp2k module gives incorrect result
Issue -
State: closed - Opened by singlebook over 3 years ago
- 3 comments
Labels: bug, cp2k
#119 - VASP virial data processing
Issue -
State: closed - Opened by ssrokyz almost 4 years ago
- 2 comments
Labels: invalid, vasp
#116 - Fix bug in log.py
Pull Request -
State: closed - Opened by trollchu almost 4 years ago
- 3 comments
#115 - dpdata label system read ase db file
Pull Request -
State: open - Opened by jwz360 about 4 years ago
- 2 comments
#103 - Converting cp2k data to dp data
Issue -
State: closed - Opened by siddarthachar over 4 years ago
- 19 comments
Labels: cp2k