 ../
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CVSROOT/
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3447
(15 years ago)
by cli2:
turned off db
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FAS/
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92
(21 years ago)
by tim:
*** empty log message ***
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OOPSE/
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1452
(19 years ago)
by tim:
*** empty log message ***
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OOPSE-1.0/
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1533
(19 years ago)
by chrisfen:
Made the file reading more intelligent in Restraints. No longer gives uninformative seg faults.
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OOPSE-2.0/
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2600
(18 years ago)
by khaygart:
Bug fix - KSH
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OOPSE-3.0/
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2976
(17 years ago)
by xsun:
change the globals.cpp to make sure we can set targetPressure and surfaceTension to be negative.
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OOPSE-4/
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3520
(14 years ago)
by cli2:
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
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OOPSE_old/
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376
(21 years ago)
by chuckv:
Bug fixes in TraPPE.
calc_LJ_FF.F90: Removed print lines.
TraPPE_ExFF.cpp: Fixed so idents are being set.
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SHAPES/
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1361
(20 years ago)
by gezelter:
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
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analysisPack/
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23
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r22, which
included commits to RCS files with non-trunk default branches.
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calcPi/
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526
(21 years ago)
by xsun:
I added the calcPi.c
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chrisDissertation/
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3045
(17 years ago)
by chrisfen:
fixin figures and tables of contents
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chuckDissertation/
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3496
(15 years ago)
by chuckv:
Final Version
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commandLine/
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524
(21 years ago)
by mmeineke:
added optimization to the compile
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dp/
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692
(20 years ago)
by xsun:
*** empty log message ***
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dumpCat/
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681
(20 years ago)
by mmeineke:
changed how the comment line is handled to allow greater flexibility.
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electrostaticMethodsPaper/
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2744
(18 years ago)
by gezelter:
final changes for publication
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fennellDissertation/
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2986
(17 years ago)
by chrisfen:
I may have messed some stuff up...
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forcefields/
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24
(22 years ago)
by mmeineke:
removed a misc file
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frameCount/
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1086
(20 years ago)
by mmeineke:
added support for files larger than 2 Gb
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gb-bilayer/
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2683
(18 years ago)
by tim:
Imported using TkCVS
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iceiPaper/
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2136
(19 years ago)
by chrisfen:
fixed the cutoff eps
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langevin/
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3391
(16 years ago)
by gezelter:
Nearing the end
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madProps/
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103
(21 years ago)
by mmeineke:
fixed a cosCorr and GofR flag bug, as well as the GofR scaling bug.
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makeLipid/
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33
(22 years ago)
by mmeineke:
cleaned up the output a little
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mattDisertation/
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1124
(20 years ago)
by mmeineke:
forgot to add this
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matt_papers/
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739
(20 years ago)
by mmeineke:
added my J. Peter Grace fellowship.
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mdRipple/
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3351
(16 years ago)
by gezelter:
final version?
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mdtools/
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284
(21 years ago)
by chuckv:
Added neighbor list module that auto expands...
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mpiBASS/
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255
(21 years ago)
by chuckv:
Changes in mpiBass.
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multipoleSFPaper/
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3085
(17 years ago)
by gezelter:
edits
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nano_mpi/
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9
(22 years ago)
by chuckv:
nose hoover chains added
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nanodecay/
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3120
(17 years ago)
by gezelter:
new stuff
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nanoglass/
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3281
(16 years ago)
by gezelter:
final version
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nanorodBuilder/
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2149
(19 years ago)
by chuckv:
Building nanorod builder.
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oopse-1.0/
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1447
(19 years ago)
by gezelter:
Initial import of OOPSE sources into cvs tree
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oopseDocs/
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3403
(16 years ago)
by gezelter:
Edits on Hydro and Langevin Dynamics
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oopsePaper/
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3389
(16 years ago)
by gezelter:
Changes about metals
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openmdDocs/
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3403
(16 years ago)
by gezelter:
Edits on Hydro and Langevin Dynamics
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ripple/
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1333
(20 years ago)
by xsun:
*** empty log message ***
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ripple2/
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3350
(16 years ago)
by gezelter:
Adding submitted version
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ripplePaper/
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3006
(17 years ago)
by gezelter:
latest version
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runParallel/
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2956
(18 years ago)
by chuckv:
Added fork() and wait() so we can loop through multiple jobs.
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scienceIcei/
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1896
(19 years ago)
by gezelter:
revisions
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simBASS/
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251
(21 years ago)
by chuckv:
Add print lines to simBASS and fixed Makefile to link w/ icc.
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ssdePaper/
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1040
(20 years ago)
by chrisfen:
Fixed some typos
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tcProps/
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1085
(20 years ago)
by mmeineke:
who knows?, but it works for the most part
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tengDissertation/
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2952
(18 years ago)
by tim:
adding final version of dissertation
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xDissertation/
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3383
(16 years ago)
by xsun:
formatting check
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xLate/
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19
(22 years ago)
by mmeineke:
This commit was generated by cvs2svn to compensate for changes in r18, which
included commits to RCS files with non-trunk default branches.
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xyz2pov/
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2750
(18 years ago)
by tim:
adding support for Gay-Berne atom
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