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c82df186b5
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Disable zstd tests if library is too old
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2020-09-16 15:18:28 -04:00 |
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ccc743e13e
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Add test for thermo data
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2020-09-16 15:14:05 -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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8ccd3c03fa
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Correct test name
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2020-09-16 12:54:36 -04:00 |
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2270d8f4ec
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Add PyLammps.atoms test and fix bug with -echo screen/both
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2020-09-16 12:48:20 -04:00 |
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9cdd35e625
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Make sure Python tests run unbuffered so PyLammps works
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2020-09-16 11:28:38 -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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ca24806f4c
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Add tests
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2020-09-16 10:11:00 -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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38f0a2e24c
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Fix doc build errors
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2020-09-15 19:50:28 -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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7611efeea2
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Update python docs
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2020-09-15 18:03:26 -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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ae68becf4a
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Fixed a bug in computing the langevin torques applied to rigid bodies
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2020-09-15 15:27:24 -05:00 |
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60712e3f90
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Add docstrings
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2020-09-15 16:22:43 -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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556dc67fdc
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Correct filename of generated image
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2020-09-15 15:20:38 -04:00 |
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6cfad41be4
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Add background_color argument to IPyLammps.image
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2020-09-15 15:19:39 -04:00 |
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e5e449795a
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Add tests for has_style and available_styles
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2020-09-15 15:16:19 -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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9490370eb0
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Use consistent naming in PyLAMMPS classes
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2020-09-15 12:22:36 -04:00 |
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2c30de65d2
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Fix typos in docstring
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2020-09-15 12:16:47 -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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db59abf1b9
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fix bug in lammps_has_style()
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2020-09-15 11:34:24 -04:00 |
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4a48ce76b8
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 11:34:16 -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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b20b234ebe
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 10:45:28 -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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