implemented metropolis accept step and included configurational tests in the mc class, need to implement some basic configurational tests
bug fix to metropolis
implemented cpp mc_test, harmonic potential based on basepotential, bug fixes
critical bug fix to histogram
a bug fix, added some comments, reshuffled code to make compiler happy, written a energy-window acceptance test class and done some more testing, I think the monte carlo routines are working correctly. I intend to test LJ6 next for further verification
in the process of wrapping cpp monte carlo functions
written wrappers for basic cpp monte carlo classes, cython compiles, need testing now
bug fixes to cython wrappers for mc_cpp, need to the wrapped functions yet (tested in cpp though)
wrapped mc cpp functions, written python test that works only for n<=3, it's a really strange bug, I think the problem has to do with the coordinates array
critical bug fix to wrapper for cpp implementation of MC, also addeded some useful functionalities to retrieve data from simulation
improvemements to mctest, written _base_mcrunner abstract class and bug fixes to ptmc
completed mpi parallel tempering, tested for harmonic potential. parallel tempering runs and seems to be doing things correctly, need to test histogram results yet for definitive test
improvements to the design of mpi_ptms, now an abstract method
design improvements to mcrunner
design improvements to mpi_pt and bug fix to mcrunner abstract class
written adjust step action, tested parallel tempering and mcrunner
added conf tests and imlemented check spherical radius
added conf tests to mcrunner
changes to test lj cluster
bug fix to random displacement step routine, bug fix to adjust step routine, other improvements