[ViewVC] Log of: OpenMD/trunk/src/applications

Revision 555 - Directory Listing - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (20 years ago) by chuckv
Diff to previous 545

Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

Revision 545 - Directory Listing - [select for diffs]
Modified Fri May 27 21:11:24 2005 UTC (20 years ago) by tim
Diff to previous 544

adding DensityPlot into StaticProps

Revision 544 - Directory Listing - [select for diffs]
Modified Fri May 27 04:41:34 2005 UTC (20 years ago) by tim
Diff to previous 543

adding SCDOrderParameter into StaticProps

Revision 543 - Directory Listing - [select for diffs]
Modified Thu May 26 22:45:00 2005 UTC (20 years ago) by tim
Diff to previous 542

adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor
now wrap back to the center of the mass; adding P2OrderParameter into StaticProps

Revision 542 - Directory Listing - [select for diffs]
Modified Sun May 22 21:36:21 2005 UTC (20 years ago) by chuckv
Diff to previous 527

Fix to print pressure tensor.

Revision 527 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (20 years ago) by chrisfen
Diff to previous 525

Couple of changes for TAP water.  Need to parametrize.

Revision 525 - Directory Listing - [select for diffs]
Modified Mon May 9 22:07:30 2005 UTC (20 years ago) by chuckv
Diff to previous 522

More geometry builder changes.

Revision 522 - Directory Listing - [select for diffs]
Modified Tue May 3 22:55:29 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 521

Adding support for generic geometry to nanorodbuilder.

Revision 521 - Directory Listing - [select for diffs]
Modified Tue May 3 17:55:28 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 518

More changes to nanoRodBuilder....

Revision 518 - Directory Listing - [select for diffs]
Modified Thu Apr 28 00:24:11 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 510

Fixed issues with nanoRodBuilder....

Revision 510 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:40:33 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 509

fixed the spacing on the banner.  Vanity.

Revision 509 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:22:30 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 507

Version string in banner (and version numbers in config.h)

Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 499

xemacs has been drafted to perform our indentation services

Revision 499 - Directory Listing - [select for diffs]
Modified Thu Apr 14 16:10:57 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 493

nanorodbuilder now exit's when libCGAL is not present.

Revision 493 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:30:22 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 490

added CGAL checks

Revision 490 - Directory Listing - [select for diffs]
Modified Wed Apr 13 18:41:17 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 489

more memory leak are fixed

Revision 489 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:44:34 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 488

File not needed for nanoRodBuilder.

Revision 488 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:42:13 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 487

fix memory leak in nanorodBuilder and simpleBuilder(forget to delete lattice)

Revision 487 - Directory Listing - [select for diffs]
Modified Tue Apr 12 22:33:50 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 484

refactory lattice

Revision 484 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:58:09 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 481

refactory LatticeFactory and LatticeCreator

Revision 481 - Directory Listing - [select for diffs]
Modified Tue Apr 12 21:27:27 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 470

added lattice directory, so all of these files are now redundant

Revision 470 - Directory Listing - [select for diffs]
Modified Tue Apr 12 00:29:43 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 467

Changes to delete atypes...

Revision 467 - Directory Listing - [select for diffs]
Modified Mon Apr 11 21:37:30 2005 UTC (20 years, 1 month ago) by chuckv
Diff to previous 466

Importing nanoRodBuilder application (may not work yet).  ((Doesn't work yet.))
(((May never work....)))

Revision 466 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:54:53 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 448

forget to delete prepareVisitor in Dump2XYZ

Revision 448 - Directory Listing - [select for diffs]
Modified Mon Mar 28 15:54:04 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 447

fix a bug in getting the dimension of histogram

Revision 447 - Directory Listing - [select for diffs]
Modified Tue Mar 22 16:38:37 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 415

avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps

Revision 415 - Directory Listing - [select for diffs]
Modified Wed Mar 9 18:46:16 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 413

fix compilation issue

Revision 413 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 381

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

Revision 381 - Directory Listing - [select for diffs]
Modified Tue Mar 1 14:45:45 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 376

adding MersenneTwister random number generator

Revision 376 - Directory Listing - [select for diffs]
Modified Thu Feb 24 20:55:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 373

adding basic_teebuf which can operate on multiple stream simutaneously.

Revision 373 - Directory Listing - [select for diffs]
Modified Mon Feb 21 16:57:22 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 369

Fix a bug in GofRAngle

Revision 369 - Directory Listing - [select for diffs]
Modified Fri Feb 18 23:07:32 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 367

adding LipidTransVisitor, GofXyz is working now

Revision 367 - Directory Listing - [select for diffs]
Modified Fri Feb 18 15:58:33 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 365

Updated copyright information

Revision 365 - Directory Listing - [select for diffs]
Modified Thu Feb 17 20:15:29 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 364

more bug get fixed

Revision 364 - Directory Listing - [select for diffs]
Modified Thu Feb 17 19:50:30 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 363

fix a bug in GofXyz

Revision 363 - Directory Listing - [select for diffs]
Modified Thu Feb 17 19:09:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 362

make processHistogram non-abstrct function

Revision 362 - Directory Listing - [select for diffs]
Modified Thu Feb 17 18:41:50 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 361

*** empty log message ***

Revision 361 - Directory Listing - [select for diffs]
Modified Thu Feb 17 18:30:54 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 360

finish GofXyz

Revision 360 - Directory Listing - [select for diffs]
Modified Thu Feb 17 16:21:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 356

change the output format of 2D radial distribution function

Revision 356 - Directory Listing - [select for diffs]
Modified Wed Feb 16 21:00:39 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 354

fix a bug in writing out the value of cosang

Revision 354 - Directory Listing - [select for diffs]
Modified Wed Feb 16 20:30:50 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 353

change the default bin number

Revision 353 - Directory Listing - [select for diffs]
Modified Wed Feb 16 19:36:30 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 351

change the suffix of output files;fix the problem of counting in staticProps

Revision 351 - Directory Listing - [select for diffs]
Modified Tue Feb 15 19:36:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 348

BlockSnapshotManager is using reference counting now

Revision 348 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:24:12 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 347

bug fix in StaticProps

Revision 347 - Directory Listing - [select for diffs]
Modified Tue Feb 15 17:11:35 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 336

(1) adding #ifdef __RWSTD to make sun compiler happy
(2) fix pair density calculation problem when two selections intersect with each other

Revision 336 - Directory Listing - [select for diffs]
Modified Mon Feb 14 18:51:48 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 334

default length for staticProps is 1/2 smallest length of first frame

Revision 334 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:57:01 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 333

begin bug fix

Revision 333 - Directory Listing - [select for diffs]
Modified Mon Feb 14 17:35:25 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 332

refactory CorrelationFunction

Revision 332 - Directory Listing - [select for diffs]
Modified Mon Feb 14 15:18:09 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 330

bug fix and start of switch for type of correlation function

Revision 330 - Directory Listing - [select for diffs]
Modified Sun Feb 13 21:03:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 329

more fix

Revision 329 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:57:54 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 328

fixed a bug in CorrelationFunction

Revision 328 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:36:24 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 326

fixed a bug in SimInfo::getCutoff()

Revision 326 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 324

maximum length defaults to the cutoff radius

Revision 324 - Directory Listing - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 323

dynamicProps get built

Revision 323 - Directory Listing - [select for diffs]
Modified Sun Feb 13 15:56:10 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 322

dynamicProps in progress

Revision 322 - Directory Listing - [select for diffs]
Modified Sun Feb 13 08:05:33 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 321

more work in dynamicProps

Revision 321 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:25:22 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 320

adding dynamicProps

Revision 320 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:14:59 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 319

adding command line option to DynamicProps

Revision 319 - Directory Listing - [select for diffs]
Modified Sun Feb 13 07:13:27 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 318

adding command line option for DynamicProps

Revision 318 - Directory Listing - [select for diffs]
Modified Sun Feb 13 06:57:48 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 311

adding dynamicProps

Revision 311 - Directory Listing - [select for diffs]
Modified Thu Feb 10 22:37:21 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 310

more work in StaticProps

Revision 310 - Directory Listing - [select for diffs]
Modified Thu Feb 10 18:14:03 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 309

change the filenames

Revision 309 - Directory Listing - [select for diffs]
Modified Thu Feb 10 14:15:52 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 308

adding GofRAngle

Revision 308 - Directory Listing - [select for diffs]
Modified Wed Feb 9 18:21:19 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 307

remove some useless files

Revision 307 - Directory Listing - [select for diffs]
Modified Wed Feb 9 18:12:47 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 306

staticProps in progress

Revision 306 - Directory Listing - [select for diffs]
Modified Wed Feb 9 17:08:22 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 304

adding GofR

Revision 304 - Directory Listing - [select for diffs]
Modified Mon Feb 7 22:38:35 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 302

update help info

Revision 302 - Directory Listing - [select for diffs]
Modified Mon Feb 7 21:11:22 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 294

update help info for Dump2XYZ

Revision 294 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:46:10 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 291

remove SelectionVisitor

Revision 291 - Directory Listing - [select for diffs]
Modified Fri Feb 4 22:43:54 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 273

dump2Xyz now take advantage of selection library

Revision 273 - Directory Listing - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 267

(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 267 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 266

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

Revision 266 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:48:53 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 255

Fixed publication details in banner

Revision 255 - Directory Listing - [select for diffs]
Modified Thu Jan 13 21:48:18 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 250

formatting

Revision 250 - Directory Listing - [select for diffs]
Modified Wed Jan 12 23:21:42 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 246

minor fix

Revision 246 - Directory Listing - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 211

merging new_design branch into OOPSE-2.0

Revision 211 - Directory Listing - [select for diffs]
Modified Fri Nov 5 21:45:14 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 188

Added the linear visitor

Revision 188 - Directory Listing - [select for diffs]
Modified Thu Oct 28 22:26:32 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 181

remove old Vector3d.hpp from application/simpleBuilder

Revision 181 - Directory Listing - [select for diffs]
Modified Thu Oct 28 19:06:59 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 49

STL next_permutation like next_combination is working

Revision 49 - Directory Listing - [select for diffs]
Modified Wed Oct 6 23:03:34 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 42

more build fixes

Revision 42 - Directory Listing - [select for diffs]
Modified Wed Oct 6 19:55:43 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 24

cleaning up

Revision 24 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 14

define DEV_ROOT as relative path

Revision 14 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 12

change Makefile to relative path

Revision 12 - Directory Listing - [select for diffs]
Modified Tue Sep 28 23:24:25 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 8

change directory structure of application. Every executable file is replaced in seperate directory

Revision 8 - Directory Listing - [select for diffs]
Modified Tue Sep 28 20:44:02 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 3

*** empty log message ***

Revision 3 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 2

change the #include in source files

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 8 months ago) by gezelter

Import of OOPSE v. 2.0

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