https://github.com/vitroid/seven-op

https://github.com/vitroid/seven-op

Last synced: about 1 year ago
JSON representation

• Host: GitHub
• URL: https://github.com/vitroid/seven-op
• Owner: vitroid
• Created: 2012-12-26T02:42:25.000Z (over 13 years ago)
• Default Branch: master
• Last Pushed: 2016-12-14T14:23:54.000Z (over 9 years ago)
• Last Synced: 2025-03-14T15:21:28.658Z (over 1 year ago)
• Language: C++
• Size: 13.7 KB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: readme.txt

Awesome Lists containing this project

README

          
*** Compile ***

Eigen package is required to compile this program.

http://eigen.tuxfamily.org/index.php?title=Main_Page

In my case, eigen is installed via Mac HomeBrew package manager

% brew install eigen

and the program is compiled with specifying the location of header files explicitly.

g++  -O6 -I /usr/local/Cellar/eigen/3.1.1/include/eigen3 seven-op-gro.cpp -o seven-op-gro

*** usage ***

./seven-op-gro < coords.gro

*** benchmark ***

On my MBA, i runs more than 120x faster than the python version!