Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / epfl-theos/koopmans-kcp issues and pull requests

#19 - compilation with Scalapack does not work

Issue - State: open - Opened by nscolonna over 1 year ago - 2 comments

#18 - Restore PP

Issue - State: open - Opened by elinscott over 1 year ago

#17 - Print orbital densities also when using damp dynamics.

Pull Request - State: closed - Opened by nscolonna over 1 year ago - 1 comment

#16 - Segmentation fault when print_real_space_density=.true.

Issue - State: open - Opened by nscolonna over 1 year ago
Labels: bug

#15 - Stress tensor (vc-relax) with KCP not implemented

Issue - State: open - Opened by degennar almost 2 years ago

#14 - Relax calculations for CG electronic minimizations

Pull Request - State: open - Opened by degennar almost 2 years ago - 1 comment

#13 - Storing ODD potentials in reciprocal space

Pull Request - State: closed - Opened by elinscott almost 2 years ago - 2 comments

#12 - Storing ODD potentials in reciprocal space

Pull Request - State: closed - Opened by elinscott almost 2 years ago

#11 - OpenMP implementation not working

Issue - State: open - Opened by elinscott about 2 years ago

#10 - PR to reintroduce the old version of epsilon in order to compute the UPS

Pull Request - State: open - Opened by nscolonna over 2 years ago
Labels: enhancement

#9 - Migrate ML utilities from schuyann/koopmans

Pull Request - State: closed - Opened by elinscott over 2 years ago

#8 - Adding merge_evc and epsilon

Pull Request - State: closed - Opened by degennar over 2 years ago

#7 - Bug fix in stress/force routine producing Infinity/NaN.

Pull Request - State: closed - Opened by nscolonna over 2 years ago
Labels: bug

#6 - Add tests

Pull Request - State: closed - Opened by elinscott over 2 years ago

#5 - Fixing minor bugs revealed while writing conda recipe

Pull Request - State: closed - Opened by elinscott over 2 years ago - 1 comment

#4 - Add make install procedure

Pull Request - State: closed - Opened by elinscott over 2 years ago

#3 - Bugfix: uninitialized centers `r0`

Pull Request - State: closed - Opened by elinscott over 2 years ago

#2 - Adding cmake

Pull Request - State: closed - Opened by elinscott over 2 years ago - 1 comment

#1 - Migration to standalone repo

Pull Request - State: closed - Opened by elinscott over 2 years ago