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Created date
Draft: Resolve "Density of states algorithm"
!260
· created
Sep 16, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Documentation
Feature
Grammar
Interpreter
Testing
updated
Sep 16, 2024
Draft: Resolve "Refactoring AMML handler functions"
!259
· created
Sep 16, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Interpreter
Refactoring
Testing
updated
Sep 16, 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
updated
Sep 15, 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
3
updated
Sep 08, 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 "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 "Follow-up from "Resolve "Additional AMML properties needed for oxycat use case"""
!199
· created
May 26, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Documentation
Interpreter
Testing
Merged
2
updated
Jun 11, 2024
NVT simulation of Ar with equilibration, sampling, analysis; various fixes
!196
· created
May 20, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Merged
5
updated
Jun 12, 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 "`output_structure` should be Structure and not Series"
!189
· created
May 13, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Feature
Merged
2
Approved
updated
May 15, 2024
Resolve "Add properties key to species and reaction parameters"
!188
· created
May 13, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Constraints
Documentation
Feature
Interpreter
Testing
Merged
3
Approved
updated
May 17, 2024
Resolve "RDF prerequisites check, energy definition and kinetic energy property"
!182
· created
Apr 12, 2024
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Constraints
Convention
Documentation
Feature
Grammar
Interpreter
Testing
Merged
3
updated
Apr 13, 2024
Resolve "Add AMML algorithms to work with AMML structrures and AMML calculators"
!96
· created
Jul 14, 2023
by
Ivan Kondov
Atomistic and molecular modeling language advanced
Constraints
Feature
Grammar
Interpreter
Testing
Merged
43
Approved
updated
Apr 08, 2024