Unverified Commit 012dce93 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Update package build docs for building the USER-QMMM package

parent cc3a7c37
Loading
Loading
Loading
Loading
+4 −7
Original line number Diff line number Diff line
@@ -1215,13 +1215,10 @@ USER-QMMM package
   for a QM/MM simulation.  You must also build Quantum ESPRESSO and
   create a new executable (pwqmmm.x) which links LAMMPS and Quantum
   ESPRESSO together.  These are steps 3 and 4 described in the
   lib/qmmm/README file.  Unfortunately, the Quantum ESPRESSO developers
   have been breaking the interface that the QM/MM code in LAMMPS is using,
   so that currently (Summer 2018) using this feature requires either
   correcting the library interface feature in recent Quantum ESPRESSO
   releases, or using an outdated version of QE. The last version of
   Quantum ESPRESSO known to work with this QM/MM interface was version
   5.4.1 from 2016.
   lib/qmmm/README file.  This requires a compatible Quantum espresso
   and LAMMPS version.  The current interface and makefiles have
   last been verified to work in February 2020 with Quantum Espresso
   versions 6.3 to 6.5.

**CMake build**\ :