Ecosyste.ms: Issues

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GitHub / dftd4/cpp-d4 issues and pull requests

#41 - Overload get_dispersion for atom-wise energies

Pull Request - State: closed - Opened by haneug 12 days ago

#40 - Fix spacing

Pull Request - State: closed - Opened by marvinfriede 16 days ago

#39 - Update info check syntax

Pull Request - State: closed - Opened by marvinfriede 18 days ago

#38 - Bump version to 2.2.0

Pull Request - State: closed - Opened by marvinfriede 4 months ago

#37 - Overload important functions for compatibility

Pull Request - State: closed - Opened by marvinfriede 4 months ago

#36 - Format

Pull Request - State: closed - Opened by marvinfriede 4 months ago

#35 - Bump version to 2.1.0

Pull Request - State: closed - Opened by marvinfriede 5 months ago

#34 - Sanitizer build options

Pull Request - State: closed - Opened by marvinfriede 5 months ago

#33 - refactor

Pull Request - State: closed - Opened by e-kwsm 6 months ago - 3 comments

#32 - Minor fixes

Pull Request - State: closed - Opened by marvinfriede 6 months ago

#31 - Read reference charges to matrix before using them

Pull Request - State: closed - Opened by haneug 6 months ago

#30 - Fix Ac parameters

Pull Request - State: closed - Opened by marvinfriede 11 months ago

#29 - Fix reference CN for Ac and Cm

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#28 - Remove unit conversion file

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#27 - Fix actinide EN values

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#26 - Fix Nobelium parameters

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#25 - Fix ghost atom handling

Pull Request - State: closed - Opened by marvinfriede about 1 year ago
Labels: bug

#24 - Update required meson version

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#23 - Minor corrections

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#22 - Print gradient

Pull Request - State: closed - Opened by marvinfriede about 1 year ago

#21 - Actinides

Pull Request - State: closed - Opened by marvinfriede about 1 year ago
Labels: enhancement

#20 - Add handling of ghost atoms

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

#19 - Improve printout

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

#18 - Minor cleanup

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#17 - Add `TD4Model` class

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#16 - CMake and some interface stuff

Pull Request - State: open - Opened by conradhuebler about 2 years ago

#15 - CMake, C++ and some interface stuff

Issue - State: open - Opened by conradhuebler about 2 years ago - 1 comment

#14 - Add CI workflow

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#13 - Minor fix

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#13 - Minor fix

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#12 - Formatting

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#11 - Bump version to 2.0

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#10 - Major refactoring and gradient fix

Pull Request - State: closed - Opened by marvinfriede about 2 years ago - 1 comment

#9 - Real-space cutoffs

Pull Request - State: closed - Opened by marvinfriede about 2 years ago - 4 comments

#8 - Create tests for damping parameters

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#7 - Testsuite

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#6 - Bugfix and update

Pull Request - State: closed - Opened by marvinfriede about 2 years ago

#5 - Check gradient against reference implementation

Issue - State: closed - Opened by awvwgk almost 3 years ago
Labels: bug

#4 - Add possibility to change parameters in zeta function

Pull Request - State: closed - Opened by awvwgk almost 4 years ago

#3 - Allow modification of charge scaling parameters

Issue - State: closed - Opened by awvwgk about 4 years ago
Labels: enhancement

#2 - Thoughts on interfacing with c++

Issue - State: closed - Opened by RomitChakraborty almost 5 years ago - 5 comments

#1 - Problem building with meson - cblas not found

Issue - State: closed - Opened by RomitChakraborty almost 5 years ago - 8 comments