Merge pull request #758 from mkanski/ci-ReaxFF
Modification of ReaxFF
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- examples/reax/ci-reaxFF/CH4.dat 649 additions, 0 deletionsexamples/reax/ci-reaxFF/CH4.dat
- examples/reax/ci-reaxFF/ci-reaxFF_ZBL.dat 27016 additions, 0 deletionsexamples/reax/ci-reaxFF/ci-reaxFF_ZBL.dat
- examples/reax/ci-reaxFF/control 1 addition, 0 deletionsexamples/reax/ci-reaxFF/control
- examples/reax/ci-reaxFF/ffield.ci-reax.CH 78 additions, 0 deletionsexamples/reax/ci-reaxFF/ffield.ci-reax.CH
- examples/reax/ci-reaxFF/input.in 19 additions, 0 deletionsexamples/reax/ci-reaxFF/input.in
- examples/reax/ci-reaxFF/log.23Oct17.g++.1 84 additions, 0 deletionsexamples/reax/ci-reaxFF/log.23Oct17.g++.1
- potentials/ci-reaxFF_ZBL.dat 27016 additions, 0 deletionspotentials/ci-reaxFF_ZBL.dat
- potentials/ffield.ci-reax.CH 78 additions, 0 deletionspotentials/ffield.ci-reax.CH
- src/USER-OMP/pair_reaxc_omp.cpp 4 additions, 1 deletionsrc/USER-OMP/pair_reaxc_omp.cpp
- src/USER-REAXC/pair_reaxc.cpp 5 additions, 2 deletionssrc/USER-REAXC/pair_reaxc.cpp
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