scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
qmcpack/external_codes/quantum_espresso
History
Paul Kent 824a52228f Added William's QE5.1 patch and script to automate download and patching 
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6363 e5b18d87-469d-4833-9cc0-8cdfa06e9491
 		2014-10-01 21:34:05 +00:00
..
README Added William's QE5.1 patch and script to automate download and patching 2014-10-01 21:34:05 +00:00
add_pw2qmcpack_to_espresso-5.1.diff Added William's QE5.1 patch and script to automate download and patching 2014-10-01 21:34:05 +00:00
download_and_patch_qe5.1.sh Added William's QE5.1 patch and script to automate download and patching 2014-10-01 21:34:05 +00:00

README 

The files in this directory support making a modified version of
quantum espresso that includes the pw2qmcpack converter.

If you have already downloaded quantum espresso you can, e.g.,

patch -p1 -i ../add_pw2qmcpack_to_espresso-5.1.diff

from within the top level quantum espresso directory.

Alternatively, the download_and_patch_qe5.1.sh script will
automatically download and patch quantum espresso. After patching you
can move the espresso-5.1 directory anywhere convenient. There is no
need to keep it within the QMCPACK source tree.