20 lines
766 B
Plaintext
20 lines
766 B
Plaintext
This package implements the "fix qmmm" command which can be used
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in a LAMMPS input script.
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This fix enables LAMMPS to be used in a QM/MM simulation, currently
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only in combination with pw.x code from the Quantum ESPRESSO package.
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This package uses an external library in lib/qmmm which must be
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compiled before making LAMMPS. See the lib/qmmm/README file and the
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LAMMPS manual for information on building LAMMPS with external
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libraries. The settings in the Makefile.lammps file in that directory
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must be correct for LAMMPS to build correctly with this package
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installed.
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The person who created this package is Axel Kohlmeyer at Temple U
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(akohlmey at gmail.com). Contact him directly if you have questions.
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---------------------------------
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Version: 2014-04-05
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