APBS 1.0.0

We are very pleased to announce the availability of APBS 1.0.0, a major update of APBS which contains a few bug fixes and several new features. A full change log for this release is attached below.

As usual, the latest version of APBS can be downloaded from http://apbs.sourceforge.net/ which also contains links to the software documentation and tutorials.

Thank you for your continuing interest in APBS.

Sincerely,

The APBS Development Team

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VERSION 1.0.0
April 2008
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- NEW FEATURES
* Changed license to New BSD style open source license (see http://www.opensource.org/licenses/bsd-license.php\) for more information
* Added in a feature limited version of PMG (Aqua) that reduces the memory footprint of an APBS run by 2-fold
* Modified several routines to boost the speed of APBS calculations by approximately 10% when combined with the low memory version of APBS
* Simplified parameter input for ION and SMPBE keywords (key-value pairs)
* Examples and documentation for size-modified PBE code (Vincent Chu et al)
* Added in "fast" compile-time option that uses optimized parameters for multigrid calculations
* mg-dummy calculations can be run with any number (n>3) of grid points
* Updated PMG license to LGPL
* Added per-atom SASA information output from APOLAR calculations
* Added per-atom verbosity to APOLAR calculation outputs
* Ability to read-in MCSF-format finite element meshes (e.g., as produced by Holst group GAMER soft
ware)
* Updated installation instructions in user guide
- BUG FIXES
* Updated tools/python/apbslib* for new NOsh functionality
* Clarified ELEC/DIME and ELEC/PDIME documentation
* Added more transparent warnings/error messages about path lengths which exceed the 80-character limit
* Fixed small typo in user guide in installation instructions
* Fixed memory leaks throughout the APBS code
* Fixed NOsh_parseREAD errors for input files with \r line feeds.
* Fixed a variable setting error in the test examples
* Fixed a bug where memory usage is reported incorrectly for large allocations on 64-bit systems
* Added DTRSV to APBS-supplied BLAS to satisfy FEtk SuperLU dependency

Posted by Nathan Baker 2008-04-21

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