Changes in tests/Python/AllActions/options.dat [137845:836972]

File:

• tests/Python/AllActions/options.dat (modified) (8 diffs)

tests/Python/AllActions/options.dat

@@ -33 +33 @@
 bond-degree     "1"
 bond-file       "bond.dat"
-bondside        "1"
 bond-table      "table.dat"
 calculate-bounding-box  ""
@@ -45 +44 @@
 convex-envelope "50."
 convex-file     "convexfile"
+coordinates     "1,0,0"
 copy-molecule   "0"
 count   "12"
@@ -59 +59 @@
 distance-to-molecule    "1.5"
 distance-to-molecule    "2.1"
+distance-to-vector      "named_vector"
 domain-position "0.  0. 0."
 domain-position "0 0 0"
@@ -93 +94 @@
 id-mapping      "1"
 input   "test.data"
+input-to-vector "named_vector"
 inter-order     "2"
 interpolation-degree    "5"
@@ -142 +144 @@
 periodic        "0"
 plane-offset    "5."
+plane-to-vector "named_vector"
 position        "0 0 0"
 position        "0 0 1"
@@ -151 +154 @@
 position        "7.283585982 3.275186040 3.535886037"
 position        "9.78 2.64 2.64"
+position-to-vector      "named_vector"
 potential-charges       "1 1"
 potential-type  "morse"
@@ -158 +162 @@
 random-number-distribution-parameters   "max=20;"
 random-number-engine-parameters "seed=2;"
+remove-geometry "named_vector"
 repeat-box      "1 1 1"
 reset   1
-rotate-around-bond      "90."
+reverse "0"
 rotate-around-origin    "180."
 rotate-around-origin    "20."
@@ -228 +233 @@
 skiplines       "2"
 start-step      "0"
+steps-forward   "1"
+steps-backward  "0"
 steps   "5"
-step-world-time "1"
 store-grids     "0"
 store-saturated-fragment        "BondFragment"