mx/MX_Pmodule
1
0
Fork 0
Code Issues 1 Pull Requests Actions Packages Projects Releases Wiki Activity

Added qe/6.3 Quantum Espresso

Browse Source
This commit is contained in:
Caubet Serrabou Marc
2018-11-23 16:27:43 +01:00
parent 83aac7f8c7
commit fb8eca99c8
5 changed files with 35 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files
MPI/qe/modulefile
+9
View File
@@ -0,0 +1,9 @@
#%Module1.0
module-whatis "is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials."
module-url "https://www.quantum-espresso.org"
module-license "See PREFIX/share/doc/COPYING"
module-maintainer "Marc Caubet <marc.caubet@psi.ch>"
module-help "
QUANTUM ESPRESSOR is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
"