# HG changeset patch # User muon-spectroscopy-computational-project # Date 1689686792 0 # Node ID fd28cbdb134e7f660d2a8672f0f61bb198445a62 # Parent dd3ca8457fcd176bcd70e2d30da5f302e1dfac64 planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit 70a4d37ecdf5d586703cfc509922311e95d3205c diff -r dd3ca8457fcd -r fd28cbdb134e muon_macros.xml --- a/muon_macros.xml Fri Feb 03 15:39:17 2023 +0000 +++ b/muon_macros.xml Tue Jul 18 13:26:32 2023 +0000 @@ -17,4 +17,13 @@ ^[\s\d,\[\]]+$ + + + + 2.2.1 + 10.5281/zenodo.7733979 + 10.5281/zenodo.6517626 + 0.3.0 + 10.5281/zenodo.8026711 + 10.5281/zenodo.7025643 \ No newline at end of file diff -r dd3ca8457fcd -r fd28cbdb134e pm_asephonons.xml --- a/pm_asephonons.xml Fri Feb 03 15:39:17 2023 +0000 +++ b/pm_asephonons.xml Tue Jul 18 13:26:32 2023 +0000 @@ -1,24 +1,8 @@ - + calculate phonons using ASE and DFTB+ - - 0.2.3 0 - - - - @software{Sturniolo_pymuon-suite_2022, - author = {Sturniolo, Simone and Liborio, Leandro and Chadwick, Eli and Murgatroyd, Laura and Laverack, Adam and Mudaraddi, Anish and {Muon Spectroscopy Computational Project}}, - license = {GPL-3.0}, - month = {8}, - title = {{pymuon-suite}}, - url = {https://github.com/muon-spectroscopy-computational-project/pymuon-suite}, - version = {v0.2.3}, - doi = {10.5281/zenodo.7025644}, - year = {2022} - } - muon_macros.xml @@ -28,7 +12,7 @@ - pymuonsuite + pymuonsuite dftbplus numpy zip @@ -188,9 +172,7 @@ | ]]> - - @PYMUONSUITE_CITATION@ - + @PYMUONSUITE_CITATION@ 10.1063/1.5085197 @article{larsen2017atomic,