v0.6.0 (03/11/2014)
- First release of PEXSI.
- Version integrated with the SIESTA package for Kohn-Sham density functional theory (KSDFT) calculation.
- Parallel selected inversion for complex symmetric matrices.
- Estimate the density of state profile via inertia counting.
- Compute the density of states and local density of states.
v0.7.0 (05/24/2014)
- Use PPEXSIPlan to coordinate the computation, and allows the code to be used for C/C++/FORTRAN.
- Templated implementation and support for both real and complex arithmetic.
- New interface routines for FORTRAN based on ISO_C_BINDING (FORTRAN 2003 and later).
- Basic interface for KSDFT calculation, with a small number of input parameters and built-in heuristic strategies.
- Expert interface for KSDFT calculation, providing full-control of the heuristics.
- Symbolic factorization can be reused for multiple calculations.
- Enhanced error estimate for the pole expansion using energy as a guidance.
v0.7.1
- Bug fix: PPEXSIPlanInitialize specifics the input according to mpirank instead of outputFileIndex.
- Bug fix: PPEXSIPlanFinalize gives floating point error due to the double deallocation of SuperLUGrid.