make fix qeq/shielded fully compatible with pair style reax/c as a replacement for fix qeq/reax (327ca344) · Commits · multiscale / lammps · GitLab

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327ca344

Commit 327ca344 authored 6 years ago by Axel Kohlmeyer

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make fix qeq/shielded fully compatible with pair style reax/c as a replacement for fix qeq/reax

parent c5256624

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src/QEQ/fix_qeq.cpp 4 additions, 1 deletion

src/QEQ/fix_qeq.cpp
src/QEQ/fix_qeq.h 1 addition, 1 deletion

src/QEQ/fix_qeq.h
src/QEQ/fix_qeq_shielded.cpp 20 additions, 1 deletion

src/QEQ/fix_qeq_shielded.cpp
src/QEQ/fix_qeq_shielded.h 1 addition, 0 deletions

src/QEQ/fix_qeq_shielded.h
src/USER-REAXC/pair_reaxc.cpp 2 additions, 1 deletion

src/USER-REAXC/pair_reaxc.cpp

with 28 additions and 4 deletions

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