Starting migration of Morse to C++

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years ago) by chuckv
File length: 1104 byte(s)
Diff to previous 1442

Creating busticated version of OpenMD

Adding property set to svn entries

Revision 1360 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 10 months ago) by cli2
Original Path: trunk/src/io/Makefile
File length: 1104 byte(s)
Diff to previous 1275

Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (17 years ago) by gezelter
Original Path: trunk/src/io/Makefile
File length: 1087 byte(s)
Diff to previous 1225

Adding infrastructure for Amber force field.

updating configure process

Revision 1150 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 18:14:35 2007 UTC (18 years ago) by chuckv
Original Path: trunk/src/io/Makefile
File length: 936 byte(s)
Diff to previous 1147

Non-bonded interactions added.

Addition of section parser for Spohr water-metal potential.

Revision 789 - (view) (annotate) - [select for diffs]
Modified Mon Dec 5 23:37:56 2005 UTC (19 years, 7 months ago) by tim
Original Path: trunk/src/io/Makefile
File length: 890 byte(s)
Diff to previous 770

Fix parsing error in OptionSectionParser

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 8 months ago) by tim
Original Path: trunk/src/io/Makefile
File length: 1011 byte(s)
Diff to previous 730

OptionSectionParser get compiled

Missed makefile for sutton-chen.

Revision 615 - (view) (annotate) - [select for diffs]
Modified Tue Sep 20 21:22:38 2005 UTC (19 years, 10 months ago) by tim
Original Path: trunk/src/io/Makefile
File length: 923 byte(s)
Diff to previous 530

adding zlib support for DumpWriter

help

Revision 529 - (view) (annotate) - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (20 years, 2 months ago) by kdaily
Original Path: trunk/src/io/Makefile
File length: 831 byte(s)
Diff to previous 523

added gb

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 514 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/io/Makefile
File length: 828 byte(s)
Diff to previous 426

Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...

LinkedList removal project starts now

Revision 417 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 4 months ago) by chrisfen
Original Path: trunk/src/io/Makefile
File length: 814 byte(s)
Diff to previous 413

First commit of the new restraints code

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

Revision 267 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/io/Makefile
File length: 791 byte(s)
Diff to previous 253

moved Package variable into subdirectory makefiles to speed up
the building process

port to SGI platform

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 6 months ago) by gezelter
Original Path: trunk/src/io/Makefile
File length: 823 byte(s)
Diff to previous 221

merging new_design branch into OOPSE-2.0

Improvements to restraints

Revision 24 - (view) (annotate) - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (20 years, 9 months ago) by tim
Original Path: trunk/src/io/Makefile
File length: 390 byte(s)
Diff to previous 14

define DEV_ROOT as relative path

change Makefile to relative path

Revision 6 - (view) (annotate) - [select for diffs]
Modified Tue Sep 28 16:14:17 2004 UTC (20 years, 10 months ago) by tim
Original Path: trunk/src/io/Makefile
File length: 369 byte(s)
Diff to previous 2

add yacc and lex rules

Import of OOPSE v. 2.0