Changes in src/Element/elements_db.cpp [74d179:3b1c36]

File:

• src/Element/elements_db.cpp (modified) (2 diffs)

src/Element/elements_db.cpp

@@ -258 +258 @@
 const char *HbonddistanceDB =\
 "#atomic number bond distances for single, double and triple bond (-1 no bond)\n\
-1       0.74    -1      -1\n\
-2       0.77429209      -1      -1\n\
-5       1.23    1.19    1.18\n\
-6       1.09    1.076   1.06\n\
-7       1.04    1.02    1.01\n\
-8       0.96    0.957   -1\n\
-14      1.48    1.48    1.48\n\
-15      1.42    -1      -1\n\
-16      1.35    -1      -1\n\
-17      1.29    -1      -1\n\
-20      1.09    1.09    -1\n\
-34      1.47    -1      -1\n\
-35      1.44    -1      -1\n\
+1       0.741283  -1. -1.\n\
+2       0  -1. -1.\n\
+3       1.65217  -1. -1.\n\
+4       1.3455  -1. -1.\n\
+5       1.1962  1.19 1.18\n\
+6       1.09234  1.076 1.06\n\
+7       1.00154  1.02 1.01\n\
+8       0.941566  0.957 -1.\n\
+9       0.958865  -1. -1.\n\
+10      0  -1. -1.\n\
+11      1.9426  -1. -1.\n\
+12      1.73705  -1. -1.\n\
+13      1.60991  -1. -1.\n\
+14      1.49796  1.48 1.48\n\
+15      1.39145  -1. -1.\n\
+16      1.32987  -1. -1.\n\
+17      1.31403  -1. -1.\n\
+18      0  -1. -1.\n\
+19      2.38168  -1. -1.\n\
+20      2.39602  -1. -1.\n\
+21      1.69169  -1. -1.\n\
+22      1.69817  -1. -1.\n\
+23      1.75022  -1. -1.\n\
+24      1.79185  -1. -1.\n\
+25      1.49581  -1. -1.\n\
+26      1.76215  -1. -1.\n\
+27      1.4284  -1. -1.\n\
+28      1.56442  -1. -1.\n\
+29      2.00512  -1. -1.\n\
+30      1.55672  -1. -1.\n\
+31      1.58872  -1. -1.\n\
+32      1.5484  -1. -1.\n\
+33      1.47208  -1. -1.\n\
+34      1.43322  -1. -1.\n\
+35      1.45079  -1. -1.\n\
+36      0  -1. -1.\n\
 ";
 
@@ -280 +303 @@
 7       0       110     106.67\n\
 8       0       104.5   -1\n\
+11  0 -1 -1\n\
 14      0       120     109.47\n\
 15      0       -1      -1\n\