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Welcome to the cast wiki!

CURRENT PAGES:

• Tutorials
  • Overall tutorial (LaTeX file, not part of Wiki)
  • QM/MM Tutorial
  • MD Tutorial
  • FEP Tutorial
• Not really about CAST
  • How to clone a github repository on ECPC
  • How to compile GCC on ECPC
  • How to build googletest on windows
  • How to install and build DFTBplus on ECPC
  • How to prepare a pdb structure from the Protein Data Bank for the use with CAST
• How to build CAST
• Programming in CAST
  • Settings in CAST.txt
  • CAST and Python
  • Making interfaces fit for QM MM methods
• Understanding CAST
  • Guide to internal coordinates in CAST
  • Overview of calculation of nonbonded interactions in CAST
  • Creation of Coordinates and Energy Interface during CAST Initialization
• How to work with the archive

You should really read these guides on branching workflow with git: http://nvie.com/posts/a-successful-git-branching-model/ https://de.atlassian.com/git/tutorials/comparing-workflows/gitflow-workflow

If you wonder how to merge only certain commits, use git cherry-pick! (For example when you work on the release-branch and have removed some unfinished code to tidy up the whole thing)

Also nice to read: https://guides.github.com/features/issues/