Revision
1147 -
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Modified
Wed Jul 4 04:47:53 2007 UTC
(17 years, 10 months ago)
by
chuckv
File length: 6260 byte(s)
Diff to
previous 1126
Addition of section parser for Spohr water-metal potential.
Revision
1126 -
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Modified
Fri Apr 6 21:53:43 2007 UTC
(18 years, 1 month ago)
by
gezelter
File length: 6450 byte(s)
Diff to
previous 1095
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
Revision
1095 -
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Modified
Tue Dec 5 00:17:24 2006 UTC
(18 years, 5 months ago)
by
chuckv
File length: 6407 byte(s)
Diff to
previous 1078
Added interface to change number of neighbors in calculating neighbor list.
Revision
1078 -
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Modified
Wed Oct 18 21:58:48 2006 UTC
(18 years, 6 months ago)
by
gezelter
File length: 6170 byte(s)
Diff to
previous 1050
fixing a wrapVector problem in staticProps, also making Shifted force
and electrostatic damping the default behavior
Revision
1024 -
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Modified
Wed Aug 30 18:42:29 2006 UTC
(18 years, 8 months ago)
by
tim
File length: 6220 byte(s)
Diff to
previous 998
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
Revision
998 -
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Modified
Mon Jul 3 13:18:43 2006 UTC
(18 years, 10 months ago)
by
chrisfen
File length: 6218 byte(s)
Diff to
previous 963
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision
867 -
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Modified
Fri Jan 13 21:57:48 2006 UTC
(19 years, 3 months ago)
by
chuckv
File length: 5811 byte(s)
Diff to
previous 770
Removed MixingRule from Globals. Handled by forceField now.
Revision
770 -
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Modified
Fri Dec 2 15:38:03 2005 UTC
(19 years, 5 months ago)
by
tim
File length: 5856 byte(s)
Diff to
previous 749
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision
726 -
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Modified
Fri Nov 11 15:22:11 2005 UTC
(19 years, 5 months ago)
by
chrisfen
File length: 10272 byte(s)
Diff to
previous 721
added in a 5th order polynomial switching function option
Revision
721 -
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Modified
Tue Nov 8 13:32:27 2005 UTC
(19 years, 5 months ago)
by
chrisfen
File length: 10214 byte(s)
Diff to
previous 716
Added a keyword and ability to output forces and torques
Revision
710 -
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Modified
Wed Nov 2 20:36:25 2005 UTC
(19 years, 6 months ago)
by
chrisfen
File length: 10158 byte(s)
Diff to
previous 677
changing how we deal with summation and screening methods
Revision
674 -
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Modified
Mon Oct 17 03:06:29 2005 UTC
(19 years, 6 months ago)
by
tim
File length: 10076 byte(s)
Diff to
previous 673
fix a seg fault when try copy a string to event's err_msg, there are still tons of memory leaking problem in Globals
Revision
629 -
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Modified
Mon Sep 26 15:58:17 2005 UTC
(19 years, 7 months ago)
by
chuckv
File length: 14100 byte(s)
Diff to
previous 609
Added support for skinThickness keyword to Globals.
Revision
603 -
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Modified
Fri Sep 16 16:07:39 2005 UTC
(19 years, 7 months ago)
by
chrisfen
File length: 13709 byte(s)
Diff to
previous 598
some fixes but even more breaking (cutting out the old way to do reaction field)
Revision
598 -
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Modified
Thu Sep 15 00:14:35 2005 UTC
(19 years, 7 months ago)
by
chrisfen
File length: 13744 byte(s)
Diff to
previous 586
changes to include the coulombicCorrection selector
Revision
580 -
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Modified
Tue Aug 30 18:23:50 2005 UTC
(19 years, 8 months ago)
by
chrisfen
File length: 13304 byte(s)
Diff to
previous 541
made some changes for implementing the wolf potential
Revision
507 -
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Modified
Fri Apr 15 22:04:00 2005 UTC
(20 years ago)
by
gezelter
File length: 12703 byte(s)
Diff to
previous 426
xemacs has been drafted to perform our indentation services
Revision
273 -
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Modified
Tue Jan 25 17:45:23 2005 UTC
(20 years, 3 months ago)
by
tim
File length: 11944 byte(s)
Diff to
previous 246
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
Revision
246 -
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Modified
Wed Jan 12 22:41:40 2005 UTC
(20 years, 3 months ago)
by
gezelter
File length: 11735 byte(s)
Diff to
previous 3
merging new_design branch into OOPSE-2.0
Revision
2 -
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Added
Fri Sep 24 04:16:43 2004 UTC
(20 years, 7 months ago)
by
gezelter
File length: 9652 byte(s)
Import of OOPSE v. 2.0