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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 "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 "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 "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 "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
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 "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
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 "`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 "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
