diff --git a/examples/QUANTUM/PySCF/README b/examples/QUANTUM/PySCF/README index a2e66aecea..899a08f30e 100644 --- a/examples/QUANTUM/PySCF/README +++ b/examples/QUANTUM/PySCF/README @@ -26,7 +26,7 @@ Traditional make: CMake: % cd ~/lammps -% mkdir build_test; cd build_test +% mkdir build; cd build % cmake -D PKG_MDI=yes -D PKG_MOLECULE=yes -D PKG_KSPACE=yes ../cmake % make -j % cp lmp ~/lammps/examples/QUANTUM/PySCF/lmp_mpi