[ViewVC] Log of: group/trunk/OOPSE/libmdtools/NPT.cpp

Revision 857 - (view) (annotate) - [select for diffs]
Modified Fri Nov 7 17:09:48 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 8249 byte(s)
Diff to previous 837

moved the velocity scale matrix calculation outside of the atom loop in the NPT family of integrators.

Revision 837 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 00:19:10 2003 UTC (20 years, 8 months ago) by tim
File length: 8200 byte(s)
Diff to previous 829

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 (20 years, 8 months ago) by gezelter
File length: 7796 byte(s)
Diff to previous 780

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.

Revision 780 - (view) (annotate) - [select for diffs]
Modified Mon Sep 22 21:23:25 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 7795 byte(s)
Diff to previous 778

Converted NPTf to work with the NPT base class.

Removed NPTfm and NPTim from cvs

Revision 778 - (view) (annotate) - [select for diffs]
Added Fri Sep 19 20:00:27 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 7719 byte(s)

added NPT base class. NPTi is up to date. NPTf is not.

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