Related Issues (20)
- `output_trajectory` is not complete when launching another ionic minimization iteration HOT 12
- Support restart from file when ionic minimization cycle did not converge after the maximum number of steps. HOT 2
- 🗑 Deprecate `ADDITIONAL_RETRIEVE_LIST` setting in favor of option
- 👌 Make plugin classes importable from second level modules
- Adding an input option to control if PpCalculation should produce 'output_data'
- Protocols: Extend protocol concept to `CalcJob` classes
- documentation of workflow capabilities HOT 2
- Drop `output_` prefix in output ports HOT 2
- Revisit `BaseParser` when integrating into `PwParser`
- Monkhorst-Pack grid for 1D/2D structures in ph.x
- Matdyn Q2R 2D Structure/ loto_2d
- PwBaseCalculations number of electron_maxstep is fixed and repeat the same simulation HOT 15
- Ph Symmetry labels not correct when Raman active HOT 1
- `PwBaseWorkChain` cannot restart if stopped during forces/stress calculation
- When both XML and stdout not exist: UnboundLocalError: local variable 'alat' referenced before assignment
- The `max_iterations` is not overridden for `PwBaseWorkChain` HOT 1
- RelaxWorkChain should use restart_mode restart when max_wall HOT 15
- KeyError: 'CONTROL' HOT 7
- q2r "output_parameters" HOT 1
- `PwCalculation`: Incorrect exit message for `ERROR_CHARGE_IS_WRONG` HOT 1
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from aiida-quantumespresso.