Revision
855 -
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Modified
Thu Nov 6 22:01:37 2003 UTC
(20 years, 9 months ago)
by
mmeineke
File length: 7322 byte(s)
Diff to
previous 853
added the following parameters to BASS:
* useInitialExtendedSystemState
* orthoBoxTolerance
* useIntiTime => useInitialTime
Revision
853 -
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Modified
Thu Nov 6 19:11:38 2003 UTC
(20 years, 9 months ago)
by
mmeineke
File length: 7327 byte(s)
Diff to
previous 847
did a merge by hand from the new-templateless branch to the main trunk.
bug Fixes include:
* fixed the switching function from ortho to non-ortho box.
!!!!! THis was responsible for all of the sudden deaths we saw.
* some formating in the string when we write out the extended system state.
* added NPT.cpp to the makefile.in
Revision
847 -
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Modified
Fri Oct 31 18:28:52 2003 UTC
(20 years, 10 months ago)
by
mmeineke
File length: 7601 byte(s)
Diff to
previous 837
added template stuff to the Maikefile template
little changes to some printf format statements
Revision
829 -
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Modified
Tue Oct 28 16:03:37 2003 UTC
(20 years, 10 months ago)
by
gezelter
File length: 6845 byte(s)
Diff to
previous 787
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
782 -
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Modified
Tue Sep 23 20:34:31 2003 UTC
(20 years, 11 months ago)
by
mmeineke
File length: 6843 byte(s)
Diff to
previous 780
Removed NPTfm from Integrator.hpp.
Some small syntax cleaning in NPTfm and SimSetup
Revision
780 -
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Modified
Mon Sep 22 21:23:25 2003 UTC
(20 years, 11 months ago)
by
mmeineke
File length: 6828 byte(s)
Diff to
previous 778
Converted NPTf to work with the NPT base class.
Removed NPTfm and NPTim from cvs
Revision
778 -
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Modified
Fri Sep 19 20:00:27 2003 UTC
(20 years, 11 months ago)
by
mmeineke
File length: 12519 byte(s)
Diff to
previous 772
added NPT base class. NPTi is up to date. NPTf is not.
Revision
772 -
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Modified
Fri Sep 19 16:01:07 2003 UTC
(20 years, 11 months ago)
by
gezelter
File length: 13271 byte(s)
Diff to
previous 767
fixed bugs in NPTf, found (nearly) conserved quantities for both NPTi
and NPTf
Revision
767 -
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Modified
Tue Sep 16 20:02:11 2003 UTC
(20 years, 11 months ago)
by
tim
File length: 12512 byte(s)
Diff to
previous 763
fixed ecr grow in SimInfo
fixed conserved quantity in NPT (Still some small bug)
NPTi appears very stable.
Revision
763 -
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Modified
Mon Sep 15 16:52:02 2003 UTC
(20 years, 11 months ago)
by
tim
File length: 9931 byte(s)
Diff to
previous 746
add conserved quantity to statWriter
fix bug of vector wrapping at NPTi
Revision
746 -
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Modified
Thu Sep 4 21:48:35 2003 UTC
(20 years, 11 months ago)
by
mmeineke
File length: 9322 byte(s)
Diff to
previous 658
added resetTime to the Global namespace.
added ability to reset the integrators in the NVT and NPT family.
Revision
600 -
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Modified
Mon Jul 14 22:38:13 2003 UTC
(21 years, 1 month ago)
by
gezelter
File length: 7406 byte(s)
Diff to
previous 590
Fixes for get and set routines in Atom and DirectionalAtom
Revision
586 -
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Modified
Wed Jul 9 22:14:06 2003 UTC
(21 years, 1 month ago)
by
mmeineke
File length: 9436 byte(s)
Diff to
previous 580
Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.
Revision
576 -
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Added
Tue Jul 8 21:10:16 2003 UTC
(21 years, 1 month ago)
by
gezelter
File length: 6370 byte(s)
*** empty log message ***