Skip to content

Commit

Permalink
added things
Browse files Browse the repository at this point in the history
  • Loading branch information
kkly1995 committed Aug 9, 2022
1 parent e91368f commit 4e0fb57
Show file tree
Hide file tree
Showing 2,303 changed files with 1,962,193 additions and 0 deletions.
1 change: 1 addition & 0 deletions .gitignore
Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
*.swp
Binary file added data/full/aimd/set.000/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.000/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.000/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.000/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.000/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.001/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.001/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.001/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.001/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.001/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.002/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.002/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.002/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.002/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.002/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.003/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.003/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.003/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.003/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.003/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.004/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.004/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.004/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.004/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.004/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.005/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.005/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.005/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.005/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.005/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.006/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.006/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.006/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.006/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.006/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.007/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.007/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.007/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.007/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.007/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.008/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.008/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.008/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.008/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.008/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.009/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.009/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.009/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.009/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.009/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.010/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.010/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.010/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.010/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.010/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.011/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.011/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.011/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.011/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.011/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.012/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.012/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.012/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.012/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.012/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.013/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.013/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.013/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.013/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.013/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.014/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.014/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.014/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.014/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.014/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.015/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.015/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.015/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.015/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.015/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.016/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.016/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.016/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.016/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.016/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.017/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.017/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.017/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.017/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.017/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.018/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.018/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.018/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.018/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.018/virial.npy
Binary file not shown.
Binary file added data/full/aimd/set.019/box.npy
Binary file not shown.
Binary file added data/full/aimd/set.019/coord.npy
Binary file not shown.
Binary file added data/full/aimd/set.019/energy.npy
Binary file not shown.
Binary file added data/full/aimd/set.019/force.npy
Binary file not shown.
Binary file added data/full/aimd/set.019/virial.npy
Binary file not shown.
352 changes: 352 additions & 0 deletions data/full/aimd/type.raw
Original file line number Diff line number Diff line change
@@ -0,0 +1,352 @@
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
0
0
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
Binary file added data/full/ensemble0/set.000/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.000/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.000/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.000/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.000/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.001/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.001/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.001/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.001/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.001/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.002/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.002/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.002/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.002/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.002/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.003/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.003/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.003/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.003/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.003/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.004/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.004/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.004/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.004/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.004/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.005/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.005/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.005/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.005/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.005/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.006/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.006/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.006/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.006/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.006/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.007/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.007/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.007/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.007/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.007/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.008/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.008/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.008/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.008/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.008/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.009/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.009/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.009/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.009/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.009/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.010/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.010/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.010/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.010/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.010/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.011/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.011/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.011/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.011/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.011/virial.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.012/box.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.012/coord.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.012/energy.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.012/force.npy
Binary file not shown.
Binary file added data/full/ensemble0/set.012/virial.npy
Binary file not shown.
Loading

0 comments on commit 4e0fb57

Please sign in to comment.