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Created date
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 "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 "Improve the docs"
!256
· created
Sep 11, 2024
by
Ivan Kondov
Documentation
Merged
updated
Sep 11, 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 "Bulk-mode operations"
!237
· created
Aug 03, 2024
by
Ivan Kondov
Nice-to-have features
Documentation
Feature
Jupyter
Merged
15
Approved
updated
Aug 08, 2024
Resolve "Format math and units correctly in the docs"
!236
· created
Jul 31, 2024
by
Rodrigo Cortes Mejia
Documentation
Merged
2
Approved
updated
Aug 02, 2024
Resolve "Add docs for structure intrinsic properties"
!235
· created
Jul 29, 2024
by
Ivan Kondov
Documentation
Merged
updated
Jul 30, 2024
Resolve "Remove scripts from CLI that are not covered by tests"
!232
· created
Jul 25, 2024
by
Ivan Kondov
Convention
Documentation
Packaging
Refactoring
Testing
Merged
updated
Jul 26, 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 "trajectory property missing in amml docs"
!222
· created
Jul 10, 2024
by
Rodrigo Cortes Mejia
Documentation
Merged
1
1
updated
Jul 31, 2024
Resolve "Write a quick start guide" (IK changes)
!221
· created
Jul 09, 2024
by
Ivan Kondov
Nice-to-have features
193-write-a-quick-start-guide
Documentation
Merged
Approved
updated
Jul 09, 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 "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 "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
Resolve "Add support for FireWorks without MongoDB"
!205
· created
Jun 07, 2024
by
Ivan Kondov
Nice-to-have features
Documentation
Feature
Testing
Merged
updated
Jun 13, 2024
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