deepmodeling/dpgen2 issues and pull requests

#266 - Fix bugs related to lammps PIMD

Pull Request - State: open - Opened by zjgemi about 1 month ago - 2 comments

#265 - Support spin in dpgen2.

Pull Request - State: open - Opened by hztttt about 1 month ago - 1 comment

#264 - Bump docker/build-push-action from 6.7.0 to 6.9.0

Pull Request - State: closed - Opened by dependabot[bot] about 2 months ago
Labels: dependencies

#263 - Support PIMD for LAMMPS

Pull Request - State: closed - Opened by zjgemi about 2 months ago - 3 comments

#262 - Optimize set operations in ExplorationReport

Pull Request - State: closed - Opened by zjgemi 2 months ago - 2 comments

#261 - docs: update DeepModeling URLs

Pull Request - State: closed - Opened by njzjz-bot 2 months ago - 2 comments

#260 - configure ruff

Pull Request - State: open - Opened by njzjz 2 months ago - 1 comment

#259 - Add HDF5 support for trajs and model_devis

Pull Request - State: closed - Opened by zjgemi 3 months ago - 4 comments

#258 - Support electronic temperature

Pull Request - State: closed - Opened by zjgemi 3 months ago - 3 comments

#257 - Support valid data for multitask training

Pull Request - State: closed - Opened by zjgemi 3 months ago - 2 comments

#256 - support extra FP outputs; add post_command for Gaussian

Pull Request - State: closed - Opened by zjgemi 3 months ago - 2 comments

#255 - fix: support electron temperature in lammps npt task group

Pull Request - State: closed - Opened by wanghan-iapcm 3 months ago - 2 comments

#254 - Support keywords of pair_style for LmpTemplateTaskGroup

Pull Request - State: closed - Opened by zjgemi 3 months ago - 3 comments

#253 - Fix: calling functions for the default value of argument.

Pull Request - State: closed - Opened by wanghan-iapcm 3 months ago - 2 comments

#252 - Bump docker/build-push-action from 6.6.1 to 6.7.0

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies

#251 - Add DiffCSP as a new exploration engine

Pull Request - State: closed - Opened by zjgemi 3 months ago - 3 comments

#250 - add distance conf filter

Pull Request - State: closed - Opened by zjgemi 3 months ago - 2 comments

#249 - Bump docker/build-push-action from 6.5.0 to 6.6.1

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies

#248 - Add docs of "Implement a new exploration engine for dpgen2"

Pull Request - State: closed - Opened by zjgemi 3 months ago - 2 comments

#247 - Refactor finetune

Pull Request - State: closed - Opened by zjgemi 4 months ago - 2 comments

#246 - Bump docker/login-action from 3.2.0 to 3.3.0

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#245 - Bump docker/build-push-action from 6.4.0 to 6.5.0

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#244 - docs: pin sphinx-argparse to < 0.5.0

Pull Request - State: closed - Opened by njzjz-bot 4 months ago - 2 comments

#243 - Bump docker/build-push-action from 6.3.0 to 6.4.0

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#242 - Bump docker/build-push-action from 6.2.0 to 6.3.0

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#241 - fix: remove ref-names from .git_archival.txt

Pull Request - State: closed - Opened by njzjz-bot 4 months ago - 2 comments

#240 - Rename check_examples.py to test_check_examples.py and add existing example JSON files

Pull Request - State: closed - Opened by njzjz 5 months ago - 5 comments

#239 - Bump docker/build-push-action from 6.1.0 to 6.2.0

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#238 - CP2K support for dpgen2

Pull Request - State: closed - Opened by Andy6M 5 months ago - 3 comments

#237 - Bump docker/build-push-action from 6.0.0 to 6.1.0

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#236 - Add train optional files

Pull Request - State: closed - Opened by zjgemi 5 months ago - 2 comments

#235 - 可否提供dpgen2 slurm调用示例

Issue - State: closed - Opened by Tengfei9228 5 months ago - 1 comment

#234 - Bump docker/build-push-action from 5.4.0 to 6.0.0

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies

#233 - Add train args

Pull Request - State: closed - Opened by zjgemi 5 months ago - 2 comments

#232 - fix: type hint for the input of replicate

Pull Request - State: closed - Opened by wanghan-iapcm 5 months ago - 2 comments

#231 - Bump docker/build-push-action from 5.3.0 to 5.4.0

Pull Request - State: closed - Opened by dependabot[bot] 5 months ago - 2 comments
Labels: dependencies

#230 - dpgen2 如何使用slurm调度进行流程作业提交

Issue - State: closed - Opened by Tengfei9228 6 months ago - 1 comment

#229 - Bump docker/login-action from 3.1.0 to 3.2.0

Pull Request - State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies

#228 - fix missing key of merged caly-evo-step

Pull Request - State: closed - Opened by zjgemi 6 months ago - 2 comments

#227 - support specifying URI of init_data, multi_init_data, valid_data, init_model

Pull Request - State: closed - Opened by zjgemi 6 months ago - 2 comments

#226 - fix: continue_on_num_success/continue_on_success_ratio key error

Pull Request - State: closed - Opened by wangzyphysics 6 months ago - 2 comments

#225 - Fix caly evo step slice

Pull Request - State: closed - Opened by wangzyphysics 6 months ago - 3 comments

#224 - feat: merged mode for caly evo step

Pull Request - State: closed - Opened by wangzyphysics 6 months ago - 2 comments

#223 - dpgen2如何直接使用slurm构建input.json

Issue - State: closed - Opened by Tengfei9228 6 months ago - 1 comment

#222 - add parallelism for workflow

Pull Request - State: closed - Opened by zjgemi 6 months ago - 2 comments

#221 - Fix init_model_old_ratio for multitask

Pull Request - State: closed - Opened by zjgemi 6 months ago - 2 comments

#220 - set input.json/train/numb_models = 1 may cause path errors

Issue - State: closed - Opened by BI1FOF 6 months ago - 1 comment

#219 - remove `set_prefix`

Pull Request - State: closed - Opened by njzjz 6 months ago - 2 comments

#218 - Fix dpdata format of abacus

Pull Request - State: closed - Opened by zjgemi 7 months ago - 2 comments

#217 - Calypso speedup by refactorizing model deviation.

Pull Request - State: closed - Opened by wangzyphysics 7 months ago - 2 comments

#216 - Request for new features: stage-specific parameters for explore and fp, finetune/iter-initial-modle distinguishing training parameters

Issue - State: open - Opened by Vibsteamer 7 months ago - 1 comment
Labels: enhancement

#215 - Fix download and watch for prep-run-explore

Pull Request - State: closed - Opened by zjgemi 7 months ago - 1 comment

#214 - Change template_script to big parameter

Pull Request - State: closed - Opened by zjgemi 7 months ago - 1 comment

#213 - feat(build): Add Git archives version files

Pull Request - State: closed - Opened by njzjz-bot 7 months ago - 1 comment

#212 - CI: Mirror the repository to Gitee

Pull Request - State: closed - Opened by njzjz-bot 7 months ago - 1 comment

#211 - refact make train command

Pull Request - State: closed - Opened by wanghan-iapcm 7 months ago - 1 comment