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Updated date
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 "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
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 "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 "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 "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 "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 "Check that chemical equations are balanced"
!190
· created
May 13, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Constraints
Documentation
Feature
Interpreter
Testing
Merged
23
updated
Aug 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 "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
Merged
updated
Jul 29, 2024
Resolve "Improve parsing in the session manager"
!218
· created
Jul 06, 2024
by
Ivan Kondov
Bug
Grammar
Interpreter
Refactoring
Merged
updated
Jul 29, 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"
!216
· created
Jun 23, 2024
by
Ivan Kondov
Nice-to-have features
Documentation
Feature
Interpreter
Testing
Merged
14
updated
Jul 17, 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 "Optimize database queries"
!211
· created
Jun 13, 2024
by
Ivan Kondov
Interpreter
Refactoring
Merged
12
updated
Jun 21, 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 "Further options/features in the interactive session"
!207
· created
Jun 11, 2024
by
Ivan Kondov
Nice-to-have features
Feature
Interpreter
Merged
updated
Jun 12, 2024
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