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!)