feature/SOF 7953#140
Open
VsevolodX wants to merge 7 commits into
Open
Conversation
VsevolodX
commented
Jul 7, 2026
VsevolodX
commented
Member
- update: new fe approach
- chore: regen
| - type: assignment | ||
| config: | ||
| name: assign-e-material | ||
| description: >- |
Member
There was a problem hiding this comment.
Description should be multiline
| - 'curators' if the user is a curator of the elemental reference material(s) | ||
| - 'public' if the user is not the owner or curator of the elemental reference material(s) | ||
| flowchartId: assign-elemental-te-source | ||
| operand: ELEMENTAL_TE_SOURCE |
Member
There was a problem hiding this comment.
SOURCE_OF_TE_FOR_AN_ELEMENT
| # In: MATERIAL, ELEMENTS, ELEMENT_MATERIALS | ||
| # In: MATERIAL, ELEMENTS, ELEMENT_MATERIALS, ELEMENT_MATERIAL_IDS_BY_SYMBOL | ||
| # Out: total_energy (property) compound total energy (eV) from pw.x | ||
| # E_MATERIAL compound total energy (eV) in global scope |
Member
There was a problem hiding this comment.
This should be consistent: E, TE
TE_FOR_ELEMENTAL_MATERIALS_MAP_BY_SYMBOL
TE_FOR_MATERIAL
SUM_TE_ELEMENTAL_PER_ATOM
COMPOUND -> MATERIAL: PRECISION_FOR_MATERIAL; GROUP_FOR_MATERIAL
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.