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Pull requests: nomad-coe/nomad-simulations

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Pull requests list

initial investigation into harmonizing particles and atoms
#150 opened Dec 4, 2024 by JFRudzinski Loading…
17
Cg particle support
#148 opened Nov 22, 2024 by Bernadette-Mohr Loading…
9
Redefine PhysicalProperty.value interface bug Something isn't working improvement/fix Improvement or fix of a previous feature
#146 opened Nov 12, 2024 by ndaelman-hu Loading…
@ndaelman-hu
1
131 add mkdocstrings to docu
#134 opened Sep 25, 2024 by JosePizarro3 Loading…
1
@JosePizarro3
9
Add atom centered basis set new feature New feature or request
#132 opened Sep 25, 2024 by EBB2675 • Draft
1
@EBB2675
21
Initial definitions for simulation workflow
#121 opened Sep 19, 2024 by JosePizarro3 Loading…
21
added previous ff schema from older version
#114 opened Sep 10, 2024 by JFRudzinski Loading…
1
6
Extend model system new feature New feature or request testing Testing additions or fixes
#58 opened Apr 28, 2024 by ndaelman-hu • Draft
@ndaelman-hu
47
28 add md relevant outputs bm good first issue Good for newcomers
#42 opened Apr 4, 2024 by Bernadette-Mohr Loading…
ProTip! What’s not been updated in a month: updated:<2024-11-13.