Revision 849 - (view) (annotate) - [select for diffs]
Modified Fri Oct 31 21:06:47 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 7112 byte(s)
Diff to previous 848

started work on template removal.

This commit was manufactured by cvs2svn to create branch 'new-templateless'.

Revision 847 - (view) (annotate) - [select for diffs]
Modified Fri Oct 31 18:28:52 2003 UTC (21 years, 6 months ago) by mmeineke
Original Path: trunk/OOPSE/libmdtools/NPTxyz.cpp
File length: 7382 byte(s)
Diff to previous 837

added template stuff to the Maikefile template

little changes to some printf format statements

add chi and eta to the comment line of dump file.

Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (21 years, 6 months ago) by gezelter
Original Path: trunk/OOPSE/libmdtools/NPTxyz.cpp
File length: 6666 byte(s)
Diff to previous 812

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

added a new NPT integrator, NPTxyz. It scales the x, y, and z direction sepeartely. no box skew allowed.