Ecosyste.ms: Issues

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GitHub / mfherbst/asedftk issues and pull requests

#32 - Support restarting calculations from checkpoints

Issue - State: open - Opened by lancekavalsky over 3 years ago
Labels: enhancement

#30 - Normalise kpoints before dropping json

Pull Request - State: closed - Opened by mfherbst almost 4 years ago - 1 comment

#26 - Add ssh key to CompatHelper

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#24 - Forces need to be numpy arrays

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#23 - Use JSON3 package

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#22 - CompatHelper: add new compat entry for "PackageCompiler"

Pull Request - State: closed - Opened by github-actions[bot] about 4 years ago

#21 - Functionality to easily build DFTK sysimages

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#20 - Update DFTK version and implement MPI support

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#19 - Reduce startup latency

Issue - State: closed - Opened by mfherbst about 4 years ago - 1 comment

#18 - CompatHelper: bump compat for "DFTK" to "0.2" for package dftk_environment

Pull Request - State: closed - Opened by github-actions[bot] about 4 years ago - 1 comment

#16 - Support MPI parallelisation

Issue - State: closed - Opened by mfherbst about 4 years ago

#15 - Support collinear spin

Issue - State: open - Opened by mfherbst about 4 years ago

#14 - Rewrite calculator object

Pull Request - State: closed - Opened by mfherbst about 4 years ago

#13 - Switch to github actions

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#12 - Discard MacOS tests

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#11 - Convert forces to cartesian coordinates

Pull Request - State: closed - Opened by mfherbst over 4 years ago
Labels: bug

#10 - Improve installation instructions

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#9 - Document HybridMixing (available from DFTK 0.1.9)

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#8 - Extend documention by geometry optimisation and threading

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#7 - Small updates for DFTK 0.1.6

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#6 - Update to DFTK 0.1.4 interface

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#5 - Remove DFTK 0.0.7 specific quirks

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#4 - Compatibility with DFTK 0.0.7

Pull Request - State: closed - Opened by mfherbst over 4 years ago

#3 - Some small extensions

Pull Request - State: closed - Opened by mfherbst almost 5 years ago

#2 - Implement more unit tests

Pull Request - State: closed - Opened by mfherbst almost 5 years ago

#1 - Add Travis structure files

Pull Request - State: closed - Opened by mfherbst almost 5 years ago