Adding experimental branch for calculation of the heatflux based on old version of OpenMD. This will need to be ported to the development branch later.
removing spurious cutoffGroup lines from default water.md sample files
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
Fixed Makefile problems with the samples and added several missing makefiles.
converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Added tred to sample water.md files
Added TIP5P-E and fixed a bug for Thermodynamic integration (you can now have a lambda of 0)
remove deprecated keywords from samples
fixing up the samples
just some random changes when testing
fixed some samples
fixing up some samples
just some testing
Included a tap dimer for testing purposes
Modifications to tap. Also correcting changes to the previous merge that were not caught
Couple of changes for TAP water. Need to parametrize.
add Makefile of samples
some samples are not installed correctly
updating samples
messing with samples
changes during debug of charge-dipole
addded a few fun charge-dipole test cases
making some cool test cases
fix Makefile under water directory
add Makefile to sample directory
Import of OOPSE v. 2.0