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162f243ebc
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Merge pull request #3797 from Compizfox/develop
Include bond forces in `compute stress/cartesian`
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2023-06-14 21:31:41 -04:00 |
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618fa815cc
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Merge pull request #3812 from wmbrownIntel/intel_fixes_2023Jun
Misc Fixes for Intel Package
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2023-06-14 18:21:34 -04:00 |
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96b8bbbdc9
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Merge branch 'develop' into develop
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2023-06-14 15:09:51 +02:00 |
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e6cd79e0e9
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Fix doc links
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2023-06-14 15:04:46 +02:00 |
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8aeb059ce8
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Update doc/src/compute_stress_cartesian.rst
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2023-06-14 15:03:35 +02:00 |
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2ba83a4d8f
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add versionadded keyword
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2023-06-12 15:31:37 -04:00 |
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82cea7a546
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small doc updates for added pppm_table keyword
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2023-06-12 15:31:03 -04:00 |
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90416faf0a
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Merge branch 'develop' into intel_fixes_2023Jun
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2023-06-12 15:18:08 -04:00 |
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0e7d91b611
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add missing documentation
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2023-06-10 07:45:52 -06:00 |
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4cad18a057
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document Fortran version of lammps_last_thermo
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2023-06-08 19:59:47 -04:00 |
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d6ad52ea66
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allow wildcards with "cutoff" keyword to fix reaxff/species
this also switched to using fmtlib for column aligned output formatting
and re-applies clang-format.
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2023-06-08 09:46:33 -04:00 |
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2272d8dd20
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add new library interface function to documentation
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2023-06-08 09:45:12 -04:00 |
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c851c7304c
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Update documentation for compute stress/cartesian,
and split the doc page compute_stress_profile into compute_stress_cartesian and compute_stress_curvilinear
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2023-06-08 11:03:21 +02:00 |
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9235377b44
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Merge branch 'develop' into collected-small-fixes
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2023-06-07 20:05:06 -04:00 |
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de561737a3
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update docs
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2023-06-07 15:28:35 -04:00 |
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af25bd87fb
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Merge branch 'develop' into collected-small-fixes
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2023-06-07 15:23:54 -04:00 |
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5fdba37492
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Merge pull request #3807 from jtclemm/BPM
Misc minor patches/features in BPM/Granular packages
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2023-06-07 13:55:00 -04:00 |
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2f88153f06
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Implementing feature request for runtime control of pppm_table in Intel package.
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2023-06-07 10:43:51 -07:00 |
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73693ca25b
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Merge pull request #3787 from oywg11/ilp-water-graphene
Registry-Dependent Potential for Interfaces of Water with Graphene
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2023-06-07 11:48:43 -04:00 |
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57f166670f
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fix versionadded macro so it is detected when actual version is added
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2023-06-07 06:38:52 -04:00 |
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37d894db51
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update/clarify docs
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2023-06-07 06:30:07 -04:00 |
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f406aa1492
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Merge pull request #3792 from evoyiatzis/master
Inclusion of bond & angle contributions to "compute stress/mop"
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2023-06-07 06:09:58 -04:00 |
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0f925f7a39
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reformat, add versionadded marker
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2023-06-07 04:33:37 -04:00 |
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b81b1f5ecc
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switch dump yaml/netcdf thermo output to use new caching API. remove old API.
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2023-06-06 22:40:13 -04:00 |
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74a9cfc110
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Merge pull request #3660 from Yi-FanLi/pimd_langevin
Add fix style pimd/langevin
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2023-06-06 21:31:28 -04:00 |
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ee6b12ee30
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Correct reference info
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2023-06-06 18:04:26 -04:00 |
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0ec5274873
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Merge branch 'develop' into BPM
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2023-06-06 14:40:51 -06:00 |
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e954d8f050
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correctly indicate OPT package version of pair style
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2023-06-06 16:11:03 -04:00 |
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c4d49324b5
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various documentation updates
- spelling fixes
- formatting conventions
- grammar fixes and clarifications
- full integration into manual build procedure
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2023-06-06 16:08:50 -04:00 |
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9cc6839a8b
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Merge branch 'develop' into collected-small-fixes
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2023-06-06 08:36:25 -04:00 |
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3782eeee2b
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remove whitespace from compute_stress_mop.rst
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2023-06-04 13:47:54 +03:00 |
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196641927f
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correct a typo in the doc file
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2023-06-03 23:07:55 +08:00 |
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b5ab173763
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update the doc file
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2023-06-03 23:03:12 +08:00 |
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a25100120b
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update the doc file
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2023-06-03 20:36:12 +08:00 |
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241f3b751e
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Unifying syntax for BPM bond options
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2023-06-02 15:45:53 -06:00 |
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c30762ca8b
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Update documentation for compute stress/mop/profile
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2023-06-02 19:44:37 +03:00 |
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bda933e0db
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Merge pull request #3793 from srtee/reaxff-varstyle-efield
Enable `fix qeq/reaxff` with variable `fix efield`
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2023-06-01 10:01:56 -04:00 |
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c310616bb7
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Update compute_stress_mop.rst to reflect the added keywords
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2023-06-01 15:34:41 +03:00 |
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90000ca166
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update docs
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2023-05-31 13:29:48 -04:00 |
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4073241413
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correct docs about label2type() function
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2023-05-31 09:57:19 -04:00 |
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8602ecd57f
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update/correct docs
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2023-05-31 08:59:36 -04:00 |
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b28ee36f00
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update documentation for compute stress/mop
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2023-05-27 14:50:31 +03:00 |
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01b481ec4f
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Small tweaks
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2023-05-26 15:27:15 -07:00 |
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3d8df660c3
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make rigid water examples more realistic and consistent. avoid warnings.
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2023-05-25 18:08:42 -04:00 |
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ceed30e7c6
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Fixing mistakes in doc pages
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2023-05-25 12:58:57 -06:00 |
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d190249e98
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add documentation and checks
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2023-05-22 00:10:01 +10:00 |
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685255083e
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clean the duplicate info
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2023-05-21 11:43:39 +08:00 |
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91ac9ef3fc
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update doc file
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2023-05-21 11:29:28 +08:00 |
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276bc39a51
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delete rst
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2023-05-21 11:02:17 +08:00 |
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0a45d1f9ac
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Update variable.rst
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2023-05-19 21:31:51 -04:00 |
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