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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2016-07-29 14:24:21 +00:00
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@ -24,7 +24,7 @@ WARNING: This is experimental code under developement and is provided
at this early stage to encourage others to write interfaces to other at this early stage to encourage others to write interfaces to other
QM codes. Please test *very* carefully before using this software for QM codes. Please test *very* carefully before using this software for
production calculations. At the time of the last update of this README production calculations. At the time of the last update of this README
(July 2016) you have to download a QE snapshot (revision 12582) from (July 2016) you have to download a QE snapshot (revision 12611) from
the QE subversion repository. the QE subversion repository.
At this point, both mechanical and multipole based electrostatic At this point, both mechanical and multipole based electrostatic
@ -62,7 +62,7 @@ to confirm that the classical part of the code is set up correctly.
Step 3) Step 3)
Build a standalone pw.x executable in the Quantum ESPRESSO directory Build a standalone pw.x executable in the Quantum ESPRESSO directory
and also make the "couple" target. At the time of this writing and also make the "couple" target. At the time of this writing
(July 2016) you have to download a QE snapshot (revision 12582) (July 2016) you have to download a QE snapshot (revision 12611)
from the SVN repository, since no official release with the from the SVN repository, since no official release with the
completed QM/MM support code has been made available yet. The current completed QM/MM support code has been made available yet. The current
plan is to have a usable QM/MM interface released with the next plan is to have a usable QM/MM interface released with the next