Merge requests · KIT / virtmat-tools / VRE Language · GitLab

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Resolve "Implement the Vibrations algorithm"

!280 · created Nov 16, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Constraints Documentation Feature Grammar Interpreter Testing
- Merged
- 5
updated Nov 19, 2024
Resolve "Compatibility to old data schemas"

!275 · created Nov 11, 2024 by Ivan Kondov Nice-to-have features
Feature Interpreter Refactoring Testing
- Merged
updated Nov 15, 2024
Resolve "Simplify / unify internal representation of numerical series"

!271 · created Nov 01, 2024 by Ivan Kondov
Bug Interpreter Refactoring Testing
- Merged
- 3
updated Nov 06, 2024
Resolve "Implement NEB and Dimer algorithms"

!268 · created Oct 22, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Constraints Documentation Feature Grammar Interpreter Testing
- Merged
- 13
updated Nov 12, 2024
Draft: Resolve "Add support for the LAMMPS calculator"

!264 · created Sep 30, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Constraints Documentation Feature Grammar Interpreter Testing
updated Sep 30, 2024
Resolve "Enable processing of AMML parameters as iterables"

!261 · created Sep 24, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Constraints Documentation Feature Interpreter Testing
- Merged
- 2
updated Oct 09, 2024
Resolve "Density of states algorithm"

!260 · created Sep 16, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Documentation Feature Grammar Interpreter Testing
- Merged
- 27
- Approved
updated Sep 24, 2024
Resolve "Refactoring AMML handler functions"

!259 · created Sep 16, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Bug Interpreter Refactoring Testing
- Merged
- 4
updated Sep 26, 2024
Resolve "Equation of state algorithm"

!258 · created Sep 14, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Documentation Feature Grammar Interpreter Testing
- Merged
- 2
- Approved
updated Sep 17, 2024
Resolve "Get intermediate structures and magnetic moments"

!254 · created Sep 06, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Documentation Feature Interpreter Testing
- Merged
- 8
- Approved
updated Sep 17, 2024
Resolve "Use launchdir from resconfig to run interactive nodes"

!252 · created Sep 05, 2024 by Ivan Kondov
Feature Interpreter Testing
- Merged
updated Sep 05, 2024
Resolve "Optionally / conditionally mutable parameters"

!228 · created Jul 19, 2024 by Ivan Kondov Nice-to-have features
Feature Grammar Interpreter
- Merged
- 11
- Approved
updated Jul 30, 2024
Resolve "Grammar version checker in duplicate detector and sub-model reuse"

!227 · created Jul 19, 2024 by Ivan Kondov Nice-to-have features
Documentation Feature Grammar Interpreter Testing
- Merged
- 3
- Approved
updated Jul 25, 2024
Resolve "Transparent file storage for large objects / datasets"

!225 · created Jul 17, 2024 by Ivan Kondov Nice-to-have features
Documentation Feature Interpreter Testing
- Merged
updated Jul 17, 2024
Resolve "Improve parsing in the session manager"

!218 · created Jul 06, 2024 by Ivan Kondov
Bug Grammar Interpreter Refactoring
updated Jul 29, 2024
Resolve "Transparent file storage for large objects / datasets"

!216 · created Jun 23, 2024 by Ivan Kondov Nice-to-have features
Documentation Feature Interpreter Testing
- Merged
- 14
updated Jul 17, 2024
Resolve "Optimize database queries"

!211 · created Jun 13, 2024 by Ivan Kondov
Interpreter Refactoring
- Merged
- 12
updated Jun 21, 2024
Resolve "Add several intrinsic properties of AMML Structure"

!210 · created Jun 13, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Convention Documentation Feature Grammar Interpreter Testing
updated Jul 29, 2024
Resolve "Follow-up from "Resolve "Additional AMML properties needed for oxycat use case"""

!209 · created Jun 11, 2024 by Ivan Kondov Atomistic and molecular modeling language advanced
Documentation Interpreter Testing
- Merged
- 1
- Approved
updated Jun 19, 2024
Resolve "Behavior of print statements and IO statements"

!208 · created Jun 11, 2024 by Ivan Kondov Nice-to-have features
Constraints Convention Documentation Feature Interpreter Testing
- Merged
- 1
updated Jun 12, 2024

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