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a8a9fb6eb8
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adapt unit test for Jacobi class
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2020-09-16 18:17:23 -04:00 |
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96f4178d92
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add URLs to upstream projects for eigensolvers
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2020-09-16 17:53:27 -04:00 |
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942ed3afeb
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update copyright headers to match LAMMPS' conventions
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2020-09-16 17:35:58 -04:00 |
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bd542efa52
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include math_eigen.h, remove it from .gitignore
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2020-09-16 14:12:14 -04:00 |
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0931cdd109
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relax epsilon for rigid body integrators
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2020-09-16 14:07:28 -04:00 |
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fd9e39bf1a
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update docs
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2020-09-16 14:07:06 -04:00 |
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10991ee638
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separate the MathEigen implementation into its own header file
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2020-09-16 14:06:58 -04:00 |
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f7a939dec2
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update atom_style tester for new jacobi implementation
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2020-09-16 10:25:03 -04:00 |
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981d60f1bd
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update rigid tests for new eigensolver
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2020-09-15 22:47:52 -04:00 |
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48ad860889
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only do Zstd tests if it is enabled/found.
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2020-09-15 22:47:10 -04:00 |
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f5998692d0
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Merge branch 'master' into math_eigen
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2020-09-15 21:37:05 -04:00 |
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d611b85d7d
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Merge pull request #2360 from akohlmey/symbolic-atom-constants
Replace numeric with symbolic constants in Atom and AtomVec classes
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2020-09-15 21:27:47 -04:00 |
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cf7d2109a3
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Merge branch 'library-progguide' into symbolic-atom-constants
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2020-09-15 19:50:18 -04:00 |
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4b25eb1a34
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small tweaks
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2020-09-15 19:08:40 -04:00 |
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88cee4ff09
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the library interface is for calling from C, so switch nullptr in comments/docs back to NULL
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2020-09-15 19:07:07 -04:00 |
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a3765eb75b
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Merge branch 'master' into library-progguide
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2020-09-15 18:58:29 -04:00 |
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0f6a34775c
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 17:44:31 -04:00 |
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cebf6d33ba
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Merge pull request #2358 from eagunn/iss2345
Replace instances of NULL with nullptr
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2020-09-15 17:41:24 -04:00 |
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f481a403bc
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Merge pull request #2366 from akohlmey/msm-fix
Apply alternate bugfix to KSpace style MSM that avoids grid level overflow
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2020-09-15 16:22:19 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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3dd3c6a2a5
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redo fix for class member shadowing while avoiding overflowing levels
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2020-09-15 14:48:55 -04:00 |
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16749566f8
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Revert "fix issue with local variable shadowing a global variable"
This reverts commit 3368eb79d8.
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2020-09-15 14:42:00 -04:00 |
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2165f6ed38
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Merge pull request #2363 from akohlmey/consistent-memory-usage
Make memory usage reporting consistent
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2020-09-15 14:21:07 -04:00 |
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baa49984c2
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update comments
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2020-09-15 14:19:40 -04:00 |
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326d9f398c
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Merge branch 'master' into iss2345
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2020-09-15 14:06:16 -04:00 |
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5cbb54b844
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Merge branch 'iss2345' of github.com:eagunn/lammps into iss2345
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2020-09-15 14:04:16 -04:00 |
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b5832191d8
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Merge pull request #2364 from akohlmey/force-test-bugfix
Force style unit test template bugfix
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2020-09-15 13:40:13 -04:00 |
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5da50d64c9
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reformulate
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2020-09-15 12:32:43 -04:00 |
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2f3c916a57
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add unit test for lammps_memory_usage()
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2020-09-15 12:29:03 -04:00 |
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3576464268
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Merge branch 'master' into consistent-memory-usage
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2020-09-15 12:25:16 -04:00 |
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165444004e
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Merge pull request #2362 from akohlmey/library-progguide
Updates to C-Library interface progammer guide and reference
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2020-09-15 11:51:02 -04:00 |
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c6bc21febf
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Merge pull request #2361 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-09-15 11:28:25 -04:00 |
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2f3c73217b
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detect if dt has been changed from default and print warning if reset by units command
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2020-09-15 10:50:44 -04:00 |
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e30864431f
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add test for missing quartic bond style
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2020-09-15 10:12:18 -04:00 |
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2794108837
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don't update per-atom pair data if not available
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2020-09-15 10:12:07 -04:00 |
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238730b13d
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update epsilon
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2020-09-15 09:55:58 -04:00 |
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c6b6369d2d
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fix bug in input script templates that would have the timestep setting overwritten by a units command
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2020-09-15 09:46:57 -04:00 |
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bc31486fd1
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start tests for lammps_extract_global()
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2020-09-15 09:27:07 -04:00 |
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bb76215ef0
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add library interface to retrieve memory usage info
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2020-09-15 01:59:58 -04:00 |
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4b64be77e0
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consolidate memory allocation information into a single function (in Info)
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2020-09-15 01:59:58 -04:00 |
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0183e999c9
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consistently return "memory_usage" as double.
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2020-09-15 01:59:58 -04:00 |
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39681acfa4
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add cross reference
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2020-09-14 21:03:39 -04:00 |
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d27d4912af
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test lammps_extract_settings()
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2020-09-14 20:53:19 -04:00 |
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1e54a9fcf1
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complete tests for extracting and resetting the box
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2020-09-14 20:27:29 -04:00 |
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5c7f67201b
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make naming more consistent
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2020-09-14 20:27:10 -04:00 |
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93bd851ab0
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fix typo
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2020-09-14 17:39:31 -04:00 |
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df9f0e244b
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add false positive
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2020-09-14 17:18:14 -04:00 |
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5634dd4394
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correct formatting of examples
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2020-09-14 17:15:53 -04:00 |
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b1e0990c46
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update lammps config settings calls example
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2020-09-14 17:11:27 -04:00 |
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f70717710e
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fix for zstd support. add styles to list at top and document .zst extension requirement
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2020-09-14 17:07:09 -04:00 |
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