dg algot

56c6501b · rictjo · GitHub · 4c5610d6 · 56c6501b
隐藏空白更改
内联并排

Showing with 4 addition and 0 deletion

src/impetuous/fit.py src/impetuous/fit.py +4 -0

未找到文件。
--- a/src/impetuous/fit.py
+++ b/src/impetuous/fit.py
@@ -658,6 +658,10 @@ def HighDimensionalAlignment ( P , Q ) :
    # as of commit https://github.com/richardtjornhammar/RichTools/commit/99c79d94c2338252b1ef1067c0c061179b6edbd9 2016
    # SHAPE ALIGNMENT SEARCH FOR (shape_fit) SHAPE FIT
    #
+    #
+    # THE DISTANCE GEMOETRY TO ABSOLUTE COORDINATES CAN BE FOUND HERE (2015)
+    # https://github.com/richardtjornhammar/RichTools/commit/a6eef7c0712d1f87a20f319f951e09379a4171f0#diff-25a6634263c1b1f6fc4697a04e2b9904ea4b042a89af59dc93ec1f5d44848a26
+    #
    # https://github.com/richardtjornhammar/RichTools/blob/master/src/cluster.cc
    # as of commit https://github.com/richardtjornhammar/RichTools/commit/76201bb07687017ae16a4e57cb1ed9fd8c394f18 2016
    # CONNECTIVITY SEARCH FOR (connectivity) CONNECTIVITY (FIRST IMPLEMENTED FOR GROMACS 4.0.7 QMMM CLUSTERING IN LATE 2009)