- File:
-
- 1 edited
-
tests/Python/AllActions/options.dat (modified) (4 diffs)
Legend:
- Unmodified
- Added
- Removed
-
tests/Python/AllActions/options.dat
r5f7b95 r0ea063 42 42 change-element "1" 43 43 change-molname "water" 44 convex-envelope "50."45 44 convex-file "convexfile" 46 45 copy-molecule "0" … … 63 62 DoCyclesFull "0" 64 63 DoLongrange "0" 65 DoOutputEveryStep "0"66 64 DoPrintDebug "0" 67 65 DoRotate "0" … … 101 99 mesh-size "10,10,10" 102 100 min-distance "1." 103 mirror-atoms "1.,1.,1."104 101 molecule-by-id "0" 105 102 near-field-cells "3" … … 133 130 parser-parameters "psi3" 134 131 periodic "0" 135 plane-offset "5."136 132 position "0 0 0" 137 133 position "0 0 1"
Note:
See TracChangeset
for help on using the changeset viewer.
