Closed dingye18 closed 1 year ago
Update the c interface with deepmd
Remove the setting to GPUNode for DeepPot
Improved the packaging of the plugin
Remove simtk in import modules
Small edit on version control in setup.py
Add ci config yaml
Fix bug in github actions
Build up the environment for CI unit test
Update github actions run on self-hosted runners
Update image to ghcr.io
Add docker login to ghcr.io
Update ci.yml
Add credentials in image pul
Update ci
Test
Small fixs for github actions running in container
Update env variable name
Minor fix
test
Update test for CUDA platform
remove redundant files
Remove depend in CUDA toolkit include
Update container image
Fix bug in load conda environment
Debug
Small updates in image name
Configure CI with ci.yml (#1)
Update readme
Utilized pytest in CI.
Small fix
Fix bug
Fix bug in pytest
Update
Update the test for python interface
Refactor the user interface of dp plugin.
Update init.py
Update test_deepmd_nve.py
Update test_dp_plugin_nve.py
Add tests for nvt, npt, alchemical simulations
Fix bug in alchemical simulation.
Updaste unit test threshold
Update the simulation templates in tests.
Add support for DP/MM with dixed DP region
Avoid unit test
Refactor dp (#3)
Refactor DP plugin
Small fix in python
Update the unit test for dp.mm with fixed region
Small update in ci.yml
Add support for dp mask
Add support for DP/MM with adaptive DP region.
Add support of dp mask for reference platform
Fix bugs in adaptive dp region simulation
Update file name for pytest
Refactor dp (#4)
Update image in ci workflow
Fix bug in ci workflow
Fix in ci workflow
Refactor dp (#5)
Test the support for dp mask
Add test for dp adaptive with multi regions
Small fix in unit test
Update deepmd C++ API with C API.
Update the c interface with deepmd
Remove the setting to GPUNode for DeepPot
Improved the packaging of the plugin
Remove simtk in import modules
Small edit on version control in setup.py
Add ci config yaml
Fix bug in github actions
Build up the environment for CI unit test
Update github actions run on self-hosted runners
Update image to ghcr.io
Add docker login to ghcr.io
Update ci.yml
Update ci.yml
Update ci.yml
Add credentials in image pul
Update ci
Update ci
Update ci
Test
Small fixs for github actions running in container
Update env variable name
Update env variable name
Update env variable name
Minor fix
Update env variable name
test
test
Update test for CUDA platform
remove redundant files
Remove depend in CUDA toolkit include
Update container image
Fix bug in load conda environment
Fix bug in load conda environment
Debug
Debug
Debug
Debug
Small updates in image name
Configure CI with ci.yml (#1)
Update the c interface with deepmd
Remove the setting to GPUNode for DeepPot
Improved the packaging of the plugin
Remove simtk in import modules
Small edit on version control in setup.py
Add ci config yaml
Fix bug in github actions
Build up the environment for CI unit test
Update github actions run on self-hosted runners
Update image to ghcr.io
Add docker login to ghcr.io
Update ci.yml
Update ci.yml
Update ci.yml
Add credentials in image pul
Update ci
Update ci
Update ci
Test
Small fixs for github actions running in container
Update env variable name
Update env variable name
Update env variable name
Minor fix
Update env variable name
test
test
Update test for CUDA platform
remove redundant files
Remove depend in CUDA toolkit include
Update container image
Fix bug in load conda environment
Fix bug in load conda environment
Debug
Debug
Debug
Debug
Small updates in image name
Update readme
Utilized pytest in CI.
Small fix
Small fix
Small fix
Fix bug
Fix bug in pytest
Update
Fix bug in pytest
Update the test for python interface
Refactor the user interface of dp plugin.
Update init.py
Update test_deepmd_nve.py
Update test_dp_plugin_nve.py
Add tests for nvt, npt, alchemical simulations
Fix bug in alchemical simulation.
Updaste unit test threshold
Updaste unit test threshold
Update the simulation templates in tests.
Add support for DP/MM with dixed DP region
Avoid unit test
Refactor dp (#3)
Refactor DP plugin
Avoid unit test
Small fix in python
Update the unit test for dp.mm with fixed region
Small update in ci.yml
Add support for dp mask
Add support for DP/MM with adaptive DP region.
Add support of dp mask for reference platform
Fix bugs in adaptive dp region simulation
Update file name for pytest
Refactor dp (#4)
Refactor DP plugin
Avoid unit test
Small fix in python
Update the unit test for dp.mm with fixed region
Small update in ci.yml
Add support for dp mask
Add support for DP/MM with adaptive DP region.
Add support of dp mask for reference platform
Fix bugs in adaptive dp region simulation
Update file name for pytest
Update image in ci workflow
Fix bug in ci workflow
Fix in ci workflow
Fix in ci workflow
Refactor dp (#5)
Refactor DP plugin
Avoid unit test
Small fix in python
Update the unit test for dp.mm with fixed region
Small update in ci.yml
Add support for dp mask
Add support for DP/MM with adaptive DP region.
Add support of dp mask for reference platform
Fix bugs in adaptive dp region simulation
Update file name for pytest
Update image in ci workflow
Fix bug in ci workflow
Small fix
Test the support for dp mask
Add test for dp adaptive with multi regions
Add test for dp adaptive with multi regions
Small fix in unit test
Update deepmd C++ API with C API.