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65e93cbaab
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decrement/increment molindex and atomindex to have 1-based indices in files and 0-based internally
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2020-10-26 17:06:27 -04:00 |
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d9646472c3
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Revert "support choosing the molecule index from the set of molecules in a template"
This reverts commit 186359caa9.
The same functionality will be implemented differently later
in a fashion consistent with fix deposit and fix pour.
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2020-10-26 15:46:58 -04:00 |
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9c129d3a34
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update output of read_restart to make read_data and signify if atom style template is used
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2020-10-24 01:05:11 -04:00 |
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186359caa9
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support choosing the molecule index from the set of molecules in a template
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2020-10-24 00:45:41 -04:00 |
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13450606c6
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update read_data docs with actual format for atom style template
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2020-10-24 00:45:06 -04:00 |
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4a6517fd51
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for atom style template only write out the number of types
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2020-10-23 21:51:55 -04:00 |
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00e4e23456
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only check for type overflows if a box has been created.
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2020-10-23 21:51:10 -04:00 |
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9e0062a9ef
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we have a new map style when using atom style template
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2020-10-23 21:50:38 -04:00 |
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23e2a4af00
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use symbolic constant
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2020-10-23 21:50:18 -04:00 |
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3bf081745d
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add missing velocity comm ids
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2020-10-23 21:50:04 -04:00 |
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c62ddaa4a2
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remove pre-box check so that atom style template can work
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2020-10-23 21:10:41 -04:00 |
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39da827a2d
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correct formatting style for keywords block
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2020-10-23 02:24:11 -04:00 |
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aa15f221d4
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add missing "boff" keyword
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2020-10-23 02:21:58 -04:00 |
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c29474c533
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Merge pull request #2443 from akohlmey/next_lammps_version
Step version strings for next release
patch_22Oct2020
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2020-10-22 18:11:33 -04:00 |
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c7a10050c2
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Merge pull request #2439 from akohlmey/collected-small-changes
Collected small changes for the next release
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2020-10-22 17:23:49 -04:00 |
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9bc3ccd49a
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fix misplaced "#endif"
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2020-10-22 15:45:24 -04:00 |
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5ff0dbb431
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step version strings for next patch release (and stable release candidate)
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2020-10-22 15:36:58 -04:00 |
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fcd442d751
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simplify code. print warnings only on MPI rank 0. update parameter names
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2020-10-22 15:35:45 -04:00 |
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68b533d1b8
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correct order of functions
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2020-10-22 14:59:55 -04:00 |
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b64585c631
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2020-10-22 12:11:58 -04:00 |
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bcf5abccb5
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reorder functions in library.h and library.cpp to match order in manual
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2020-10-22 12:11:42 -04:00 |
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bc43865f45
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need to look for Java Development components, not just JNI parts
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2020-10-22 01:55:42 -04:00 |
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a14b38ce21
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avoid bell
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2020-10-21 22:23:45 -04:00 |
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bb32cbc223
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add a few more tests for the lammps-shell
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2020-10-21 22:07:38 -04:00 |
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ac6f85f8be
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make expansion of internal command unambiguous
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2020-10-21 21:14:53 -04:00 |
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0ab8803d19
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Merge pull request #2437 from akohlmey/correct-urls
Make references to LAMMPS and other websites consistent
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2020-10-21 20:34:14 -04:00 |
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e79e53c540
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Merge pull request #2438 from akohlmey/swig-support-fixes
Small updates to SWIG tool for increased portability and correctness
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2020-10-21 19:57:23 -04:00 |
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386bea76cb
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describe more clearly what is provided
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2020-10-21 17:25:42 -04:00 |
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6b2a98b537
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ad few more manual updates of outdated, mistyped or no longer available URLs
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2020-10-21 17:19:33 -04:00 |
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f8bf4989f4
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update URLs from http:// to https://
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2020-10-21 17:04:23 -04:00 |
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a914a3aac2
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update outdated URLs
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2020-10-21 17:03:46 -04:00 |
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f23d831a90
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update cslib homepage URLs to use https://
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2020-10-21 16:53:30 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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9cdf6f1e8b
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more portability changes
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2020-10-21 14:22:06 -04:00 |
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d7a0971578
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make python support more portable, require python3
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2020-10-21 14:14:46 -04:00 |
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53028b24d6
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improve portability for building SWIG Tcl wrappers
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2020-10-21 14:06:25 -04:00 |
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1753c9f361
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Merge pull request #2434 from akohlmey/swig-wrappers
Provide an interface file for creating script wrappers for LAMMPS with SWIG
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2020-10-21 12:56:11 -04:00 |
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2ed11f55d6
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fix URLs to documentation files
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2020-10-21 11:12:13 -04:00 |
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0a30398d1f
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get rid of obsolete README note. We have long ago fixed the aliasing issue in Coulomb tabulation
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2020-10-21 11:10:26 -04:00 |
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de8149154a
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fix broken internal links in the manual
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2020-10-21 10:56:52 -04:00 |
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cc90596183
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fix link to documentation
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2020-10-21 10:49:01 -04:00 |
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de40b3e637
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remove trailing whitespace
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2020-10-20 21:24:02 -04:00 |
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7549edd844
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Merge branch 'master' into swig-wrappers
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2020-10-20 21:22:53 -04:00 |
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a8c0142621
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update docs for building SWIG Tcl wrapper
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2020-10-20 21:22:39 -04:00 |
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4b447fb3d8
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Merge pull request #2429 from rbberger/python_docs
Minor updates to the Python docs
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2020-10-20 21:12:44 -04:00 |
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955c7c1efb
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Merge pull request #2433 from athomps/eamfs-doc
Clarified order of rho_alpha_beta density functions
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2020-10-20 20:13:35 -04:00 |
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ad50db1feb
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use a different/cleaner approach to build an extended Tcl shell
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2020-10-20 18:53:29 -04:00 |
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1b358603c2
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simplify
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2020-10-20 18:52:53 -04:00 |
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0547425482
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a few more small fixes
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2020-10-20 18:30:32 -04:00 |
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6259b277df
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replace explicit clean-all target with added properties
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2020-10-20 18:30:19 -04:00 |
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