cleaned things with gcc -Wall and g++ -Wall

Revision 727 - (view) (annotate) - [select for diffs]
Modified Wed Aug 27 16:16:01 2003 UTC (21 years, 8 months ago) by tim
File length: 43546 byte(s)
Diff to previous 721 , to selected 559

fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90
molMembershipList use global index instead of local index

changed the Makefiel a litle.

Fixed a bug in MPI_DUFF. The atom block type was not being properly constucted in MPI. (The MPI struct had 6 doubles declared versus the actual 11)

Revision 707 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 19:42:31 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 43546 byte(s)
Diff to previous 704 , to selected 559

updated the Changelog.

added some bug fixes for setting the random number generator seed value.

fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)

bug fixed in ghost bend class

Revision 690 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 21:44:06 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 43522 byte(s)
Diff to previous 635 , to selected 559

fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.

Changes for SSD/E

Revision 631 - (view) (annotate) - [select for diffs]
Modified Thu Jul 17 19:25:51 2003 UTC (21 years, 9 months ago) by chuckv
File length: 41658 byte(s)
Diff to previous 594 , to selected 559

Added massive changes for eam....

working on som integrator bugs

Revision 564 - (view) (annotate) - [select for diffs]
Modified Tue Jun 24 19:57:54 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 41607 byte(s)
Diff to previous 561 , to selected 559

added Harmonic bod into the DUFF forcefield and BondExtensions.cpp

Most of the integrator and NVT seem to be working now.

Revision 559 - (view) (annotate) - [selected]
Added Thu Jun 19 22:02:44 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 40852 byte(s)

slowly converting to new integrator and forcefield names.