Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

47 add thermodynamics output #48

Closed
wants to merge 4 commits into from

Conversation

JFRudzinski
Copy link
Collaborator

Just starting to construct a list of thermodynamic properties, feel free to comment, or branch off and expand

@JFRudzinski JFRudzinski linked an issue Apr 10, 2024 that may be closed by this pull request
@coveralls
Copy link

coveralls commented Apr 10, 2024

Pull Request Test Coverage Report for Build 8648010084

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 93.069%

Totals Coverage Status
Change from base Build 8645961087: 0.0%
Covered Lines: 94
Relevant Lines: 101

💛 - Coveralls

@JFRudzinski JFRudzinski changed the base branch from develop to 40-physicalproperty-definition-jmp April 10, 2024 12:49
Base automatically changed from 40-physicalproperty-definition-jmp to develop April 11, 2024 11:29
@JFRudzinski JFRudzinski force-pushed the 47-add-thermodynamics-output branch from 68b675c to bcb04f9 Compare April 11, 2024 14:01
jrudz and others added 4 commits June 12, 2024 17:03
Added extraction of full_shape of the PhyiscalProperty.value from variables and tensor order
Added functionality to see if a property is_scf_converged
@JFRudzinski JFRudzinski force-pushed the 47-add-thermodynamics-output branch from bcb04f9 to 454312d Compare June 12, 2024 15:03
@coveralls
Copy link

coveralls commented Jun 12, 2024

Pull Request Test Coverage Report for Build 9485016668

Details

  • 0 of 45 (0.0%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage decreased (-1.9%) to 78.759%

Changes Missing Coverage Covered Lines Changed/Added Lines %
src/nomad_simulations/thermodynamics.py 0 45 0.0%
Totals Coverage Status
Change from base Build 9403163995: -1.9%
Covered Lines: 1498
Relevant Lines: 1902

💛 - Coveralls

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

Add Thermodynamics Output
3 participants