Recent Changes - Search:

edit SideBar


MAP2ZMAT Maps atomic centers from the computational ordering to the ZMAT ordering. If $i$ is a computational center, MAP2ZMAT($i$) is the number of the same center in the ZMAT file.

Data type: integer. Dimension: NAtoms. Written by: xvmol2ja.

Edit - History - Print - Recent Changes - Search
Page last modified on June 10, 2011, at 02:58 AM
CFOUR is partially supported by the U.S. National Science Foundation.