# 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,