MDLovoFit

Institute of Chemistry - University of Campinas

Home Usage Download
MDLovoFit can be used through its Julia interface, without requiring compilation. For using such interface, go to https://github.com/m3g/MDLovoFit.jl


Alternativelly, it can be used following the tutorials in this page, after manual compilation accordingto the instructions below. Download the latest version of the package from the github repository. To compile it, first, you need a Fortran compiler. The GNU Fortran Compiler, gfortran, is available in standard repositories of every GNU-Linux distribution.

If you have a Fortran compiler installed, do, for example (check the correct version of the downloaded file, in this example we use 20.0.0):
tar -xzvf MDLovoFit-v20.0.0.tar.gz
cd MDLovoFit-20.0.0
cmake .
make
This procedure will create the executable mdlovofit in the directory MDLovoFit-20.0.0/bin. The most practical way to use it is to add this directory to your path.

Go to the Usage page for instructions on how to use the software.

MDLovoFit releases



See also:
Packmol
LovoAlign
LovoFit
Author's software page
The TANGO project