Added example and tabulated close-range correction
Showing
- 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
Loading
Please register or sign in to comment