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/testingMade 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!)