threw out the spin symmetry optimization to prepare for the implementation of the particle-hole transformation (will check later if I can make the two compatible, but for now lets just do it the easy way ...)
initial and untested implementation of the particle hole transformation
fixed an underflow bug in the TVector class; calculation of the chemical potential now ensures the right number of spin up/down particles in the determinantal part
switched single particle orbital calculation to double precision; removed an unnecessary function from mccrun_prepare
switched Jastrow class from storing exp(v_ij) to storing v_ij (it was an optimization that was actually slower after the p.h. transformation); evaluation of the log derivatives now also uses the Jastrow as m_i*m_j (dropped the +1 that was related to the normalization)
fixed a few warnings when compiling in debug mode
added the BCS pairing terms (spin changing hopping after particle hole transformation) to the single particle Hamiltonian
some improvements to initializer list syntax (I totally had this one wrong ...)
merged initializer list change from master
pre optimization test that was checked against Luca's implementation
added two classes for a SingleParticleHamiltonian and a DeterminantalWavefunction
fixed some bugs; prepared the implementation of the logarithmic derivative measurement for the variational parameters of the determinantal wavefunction
implemented the calculation of the logarithmic derivates for the determinantal part; optimization is restricted to the vpars that Luca optimized in the reference he sent me (optimization of all parameters is implemented, but commented out until everything is tested against Luca's case and confirmed to be working)
extended the range of the determinantal variational parameters (there are 7 in total now: 2 hoppings, 4 bcs deltas and 1 chemical potential); switched optimization to -O3 by default for profiling and release builds; some minor improvements
added a command line switch that allows selecting which variational parameters are to be optimized
added command line switches to manually set the most important variational parameters (can be used to overwrite vpars from a file or the default values)
the default values for t' and t'' are now the values from the Hubbard Hamiltonian (they were 0 before); added the possibility to use a different dt for the Jastrow vpars (turned off by default, I am not sure how well this works)
the default value of the checmical potential is now the Fermi energy of the tight binding part (it was like that before, but I threw it out again when I rewrote the determinantal stuff)
fixed a bug that caused the wrong chemical potential to be set if t' or t'' were overwritten from the command line; threw out the magnitude check of the initial entries of the W matrix (it is not necessary)
the entire variational parameter history will now be written to disk as it happens (this allows stopping and restarting the optimization at any point)