Changes in tests/Python/AllActions/options.dat [0ea063:5f7b95]

File:

• tests/Python/AllActions/options.dat (modified) (4 diffs)

tests/Python/AllActions/options.dat

@@ -42 +42 @@
 change-element  "1"
 change-molname  "water"
+convex-envelope "50."
 convex-file     "convexfile"
 copy-molecule   "0"
@@ -62 +63 @@
 DoCyclesFull    "0"
 DoLongrange     "0"
+DoOutputEveryStep       "0"
 DoPrintDebug    "0"
 DoRotate        "0"
@@ -99 +101 @@
 mesh-size       "10,10,10"
 min-distance    "1."
+mirror-atoms    "1.,1.,1."
 molecule-by-id  "0"
 near-field-cells        "3"
@@ -130 +133 @@
 parser-parameters       "psi3"
 periodic        "0"
+plane-offset    "5."
 position        "0 0 0"
 position        "0 0 1"