QMcBeaver / News: Recent posts

QMcBeaver 20051021 has been released. QMcBeaver 20051021 has a number of major functionality and usability
improvements over previous releases:

- Added a user guide
- Support for multi-determinant wavefunctions
- Support for unrestricted trial functions
- Improved numerical stability checks for Green's function evaluations
- Added functionality to calculate the expectation values for basis functions
- Added the ability to calculate pair densities (for use in DFT
development)
- Improved DMC ensemble synchronization for parallel calculations
- Added the ability to lock the DMC trial energy to its initial value
- Included Dan Fisher's improved initialization algorithm
- Support for ATLAS linear algebra
- Ability to use a GPU (graphics card) to execute the most time
consuming sections of code
- Rewrote the configuration script so that it supports more platforms and
is easier to modify
- Support for Windows without using Cygwin
- Improved the STL code to remove deprecation warnings
- Improved the STL code so that PGI and Intel compilers are supported
- Support for Intel's Vtune

QMcBeaver 20041014 has been released. Starting with this release of QMcBeaver, API documentation will be provided with every release. This version of QMcBeaver:

- provides API documentation
- supports GCC 3.4
- has more example inputs
- resolved problems assoicated with signed random number seeds
(now signs are ignored)
- improves output formatting
- improves the stability of calculating the ratio of greens functions
- streamlined the build procedure so that multiple platforms can be built in the same directory without a "make clean"
- added support for Mac OS X
- added a new, more efficient algorithm to initialize walkers