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5872b05e2f
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Merge pull request #2447 from akohlmey/atom-style-template-fixes
Fix bugs and update implementation of atom style template
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2020-10-27 13:03:05 -04:00 |
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bfb8f0f4c0
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Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic
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2020-10-27 09:41:19 -06:00 |
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af483ca34f
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small documentation update
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2020-10-26 23:15:43 -04:00 |
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ba97141d45
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restore and correct read_data docs for atom style template
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2020-10-26 17:25:16 -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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406d6e27ce
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bond/react: clarify how reactions are searched for
thanks to Ben Jensen (NASA Langley)
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2020-10-26 11:22:35 -04:00 |
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254963cddd
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Update fix_bond_react.rst
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2020-10-25 21:16:04 -04:00 |
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40b750769b
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Merge pull request #107 from lammps/master
rebase
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2020-10-24 14:56:13 -04:00 |
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c2a852ddef
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clarify exactly what is used to identify reaction site
thanks to Øystein Gullbrekken for the suggestion
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2020-10-24 13:46:28 -04:00 |
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7df8b81af9
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Update molecule.rst
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2020-10-24 13:08:49 -04:00 |
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f6d0f47ba0
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Update bond_gaussian.rst
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2020-10-24 17:27:39 +02:00 |
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6517e97bed
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Update bond_gaussian.rst
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2020-10-24 17:22:07 +02:00 |
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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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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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6a3a17c63e
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Update docs
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2020-10-22 12:08:12 -06:00 |
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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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461f1001f9
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Update Commands_bond.rst
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2020-10-22 11:00:11 +02:00 |
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f545b297b4
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Update bond_style.rst
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2020-10-22 10:57:12 +02:00 |
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c0fde537eb
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Add files via upload
documentation file for gaussian bond_style
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2020-10-22 10:55:27 +02:00 |
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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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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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faf67662d5
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fix typo
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2020-10-20 16:47:56 -04:00 |
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b9a57899a6
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whitespace fix
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2020-10-20 16:46:21 -04:00 |
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eeaff55df7
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SWIG support documentation update
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2020-10-20 16:37:30 -04:00 |
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75ac1857ab
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Clarified order of rho_alpha_beta density functions
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2020-10-20 11:47:41 -06:00 |
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cd444eefe2
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Merge branch 'master' into swig-wrappers
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2020-10-19 21:58:23 -04:00 |
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f74203fb33
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start adding documentation about SWIG wrapping to the manual
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2020-10-19 01:00:02 -04:00 |
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722b9c8cf3
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small tweak
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2020-10-16 22:46:33 -04:00 |
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cd605d46bc
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Add missing code-block language
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2020-10-16 18:22:29 -04:00 |
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b3b650acf2
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Update Python_execute.rst
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2020-10-16 18:22:29 -04:00 |
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91a1e9abb4
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Correct table in Python_examples.rst
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2020-10-16 18:22:28 -04:00 |
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4534e78df1
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Add extra space in Python_run.rst
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2020-10-16 17:20:38 -04:00 |
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853b5ea576
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Remove redundant links and wording
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2020-10-16 17:13:31 -04:00 |
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f547cb4262
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clarify tasks for single() for Bond and Angle classes
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2020-10-16 10:48:00 -04:00 |
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f5c457334a
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make headers more compact
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2020-10-16 02:43:20 -04:00 |
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dd7a3a3a54
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move the entries about using the Python module into its own (sub) toctree
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2020-10-15 20:29:24 -04:00 |
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5d3f10611a
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Adjust Python deprecation notice
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2020-10-15 18:25:58 -04:00 |
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99f9a16a25
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Update Python docs
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2020-10-15 18:19:57 -04:00 |
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4a946f5388
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rename sections to User Guide and Programmer Guide
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2020-10-15 12:00:36 -04:00 |
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f15dc4a0a8
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add more details and derived class to the class diagram and use a different layout engine
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2020-10-15 12:00:10 -04:00 |
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bc16709150
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tweak
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2020-10-14 23:59:06 -04:00 |
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dc8e6bc5ab
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mention example using the new Fortran module in examples/COUPLE/simple
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2020-10-14 23:29:03 -04:00 |
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88644caaec
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update header texts
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2020-10-14 23:28:28 -04:00 |
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937f8b3f61
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reorder sections in developer guide
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2020-10-14 22:57:41 -04:00 |
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