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998b60eabc
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restore accidentally renamed keyword
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2020-01-17 12:17:47 -05:00 |
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a88a00dbbb
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remove trailing whitespace
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2019-12-20 15:08:51 -05:00 |
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a11b886b5c
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add warning if gravity is used incorrectly with overlapped rigid bodies
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2019-12-19 16:17:14 -07:00 |
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5859b18d2f
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enable fix rigid commands to add gravity to COM of rigid bodies
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2019-12-06 11:04:50 -07:00 |
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1e3938835b
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consolidate rigid fix constants and enumerators into a single header and namespace
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2019-09-05 11:32:13 -04:00 |
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416911aa7e
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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42c31227d9
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continuing to clean up include file lists
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2019-07-01 15:59:16 -04:00 |
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171d74f2f2
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remove class member name clashes. Pointers contains infile so we rename other uses to inpfile
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2019-06-23 16:43:54 -04:00 |
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8ba1d76055
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some dead code removal and more whitespace cleanup
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2019-03-27 05:38:41 -04:00 |
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cf349633f7
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cosmetic changes
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2019-03-26 13:09:49 -04:00 |
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efad31f474
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bug fixes to added rendezvous algorithms
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2019-03-26 10:09:16 -06:00 |
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fff28a8666
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remove trailing whitespace
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2019-03-26 11:17:21 -04:00 |
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1ca0c78a2e
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turn off diagnostic output for rendezvous op
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2019-03-26 11:01:39 -04:00 |
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62045a9c52
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cleanup up rendezvous diagnostic output
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2019-03-26 11:01:38 -04:00 |
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fc002e30d3
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added rendezvous via all2all
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2019-03-26 11:01:38 -04:00 |
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b370a61b60
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added rendezvous alg to fix shake
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2019-03-26 11:01:38 -04:00 |
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a3a16acead
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propagate rendezvous changes to fix rigid/small
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2019-03-26 11:01:38 -04:00 |
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3f9d59294e
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replace STL map with atom->map in special, better code comments
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2019-03-26 11:01:37 -04:00 |
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9912c44413
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rendevous comm option for special bonds and fix rigid/small
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2019-03-26 11:01:33 -04:00 |
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1c795a6be3
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remove trailing blanks
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2018-12-01 21:38:22 -05:00 |
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9c27548a5c
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more replacing of sprintf() with snprintf()
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2018-09-06 10:45:48 -04:00 |
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71bc72ec13
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formatting: add additional space to avoid bad syntax highlights
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2018-08-27 22:13:43 -04:00 |
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92a4dc25b1
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Fix unused params in packages (#1076)
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2018-08-24 10:42:08 -06:00 |
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f864584bce
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correct small bugs found by coverity scan static code analysis
- in fix rigid, rigid/small, and poems, a string argument was
incorrectly assigned to a %d format
- plug two small memory leaks in fix bond/react
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2018-05-11 00:43:09 -04:00 |
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0c53afbfcf
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more changes to fix rigid and fix poems
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2018-05-05 10:39:01 -06:00 |
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6886dcb2e4
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correct minor issues, so LAMMPS compiles again
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2018-05-03 23:04:07 -04:00 |
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844858d3a7
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2nd set of updates
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2018-05-03 17:00:08 -06:00 |
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2b8576c7c7
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first updates
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2018-05-03 16:55:22 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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0a02c3c78c
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fix segfault bug for in fix rigid/small found by regression testing
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2017-10-20 16:56:06 -04:00 |
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961b976374
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add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties
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2017-10-20 13:56:09 -04:00 |
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b0b67ca610
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Merge branch 'master' into master
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2017-10-18 18:49:15 -04:00 |
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e196a2b9e5
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import changes to various fixes by aidan to include virial contributions
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2017-09-11 22:24:06 -04:00 |
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08bdc4e422
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minor cleanup
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2017-09-07 12:01:19 -04:00 |
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fd0fae4847
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Langevin thermostat applied only at post_force in rigid-body fixes
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2017-09-05 23:40:14 -03:00 |
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3d614bbc87
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Bug fix in multiple fix rigid check
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2017-09-01 12:23:48 -03:00 |
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6e945f72f4
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Keyword 'bodyforces' added to fix_modify command
- Applies to classes FixRigid, FixRigidSmall, and FixPOEMS
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2017-09-01 00:16:54 -03:00 |
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f56a345ae9
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implement "earlyflag" to select when to compute body torques/forces
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2017-08-31 16:15:39 -04:00 |
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fa5ec0bae7
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Fixes with post-force() not allowed after fix rigid or rigid/small
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2017-08-27 19:22:37 -03:00 |
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7572dc63db
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Computation of forces/torques on rigid bodies moved to post_force
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2017-08-26 18:24:47 -03:00 |
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a9ff593763
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avoid segfault when calling enforce2d before langevin data has been initialized
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2017-07-12 09:48:07 -04:00 |
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9aa450b832
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Merge pull request #528 from akohlmey/no_static_in_ring_comm
Refactor ring communication to no longer require static class variables
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2017-06-15 11:13:07 -06:00 |
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d3c90f3c14
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Merge pull request #510 from akohlmey/collected-small-changes
Collected small changes
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2017-06-15 11:12:14 -06:00 |
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fcc387f232
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change ring communication API to no longer require a static variable pointing to 'this' of the caller
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2017-06-14 17:01:06 -04:00 |
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0c805d0b70
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correctly skip over point particles and point dipoles when counting extendend particles in fix rigid/small
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2017-06-12 14:20:38 -04:00 |
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6b289b0794
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change incorrect EINERTIA constant in rigid body integrators from 4.0 to 2.0 (same as in other integrators)
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2017-06-12 14:07:40 -04:00 |
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deff6c666e
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add flag "reinit" with args "yes" / "no" to fixes rigid & rigid/small
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2017-06-05 17:31:43 -04:00 |
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3a054d1a82
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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