APBS 0.2.2 (2002-08)

  • There were several other changes along the way… I lost track.

  • Changed coordinate indexing in some energy calculations

  • Updated documentation to reflect recent changes on Blue Horizon

  • Improved speed of problem setup BUT NOW RESTRICT use of input coefficient maps (see documentation)

  • Updated documentation, placing particular emphasis on use of Intel compilers and vendor BLAS on Intel Linux systems

  • Fixed bug for nonpolar force evaluation in Vpmg_dbnpForce

  • Removed MG test scripts; use bin/*.c for templates/testing

  • Made main driver code completely memory-leak free (i.e., if you wanted to wrap it and call it repeatedly – Thanks to Robert Konecny)

  • Fixed main driver code for compatibility with SGI compilers (Thanks to Fabrice Leclerc)

  • Made focused evaluation of forces more sensible.

  • Added ‘print force’ statement

  • Fixed bug in OpenDX input/output (OpenDX documentation is lousy!)