converted samples over to the OOPSE-4 file format Fixed an MPI bug in thermodynamic integration
Removed sqrt splines and shape stuff (doesn't work, so why was it in there?). Changed some of the water samples to use shifted_force. Probably should set the defaults to use the damped version now that we sped it up.
Electrosplines added...
Changes to cutoff radius setting to a more logical procedure - still may change...
remove deprecated keywords from samples
just some parameters
just playing
just playing around - we need to refresh all the samples sometime soon...
Just testing...
mmm... damped shifted force...
reaction field now works for charges
fixed some samples
fixing up some samples
Import of OOPSE v. 2.0
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