oops... messed up a sample
changes during debug of charge-dipole
added some samples
fixed a bug in MPI restraints
Oops... MPI now builds...
fixes to restraints
fixing restraints
First commit of the new restraints code
addded a few fun charge-dipole test cases
making some cool test cases
Added ssdrf sample
fixed a sample
oops...
Back to normal... Oh... Restraints should work in parallel now
just some testing changes, I'll return to the original on next commit
working sample
Fun with ice
testing force fields
fix Makefile under water directory
add Makefile to sample directory
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