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b9cc8c8d24
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Merge branch 'master' into collected-small-changes
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2021-07-20 18:14:02 -04:00 |
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2718596d65
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Merge pull request #2835 from ohenrich/cg-dna
Documentation: CG-DNA package
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2021-07-20 18:03:34 -04:00 |
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06d5bcb19b
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Merge branch 'master' into collected-small-changes
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2021-07-20 16:02:46 -04:00 |
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d8ca3e4b16
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add support for automatically downloading and building libquip
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2021-07-20 16:00:42 -04:00 |
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eeea566093
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correct typo
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2021-07-20 14:32:30 -04:00 |
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2a4b60d597
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in the output info section: flux -> flow
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2021-07-20 18:03:11 +09:00 |
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6fd1cda2a6
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update documentaion for heat/flux/tally and heat/flux/virial/tally
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2021-07-20 17:48:12 +09:00 |
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cfd9e31d18
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add links to heat/flux/virial/tally and add short descriptions for tally computes
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2021-07-20 13:31:41 +09:00 |
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ef72ea9dd9
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Fixed whitespace issues
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2021-07-19 11:49:27 +01:00 |
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2881f95d7a
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Merge branch 'cg-dna' of https://github.com/ohenrich/lammps into cg-dna
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2021-07-19 11:23:50 +01:00 |
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15b3b6445e
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Updated tests and documentation, added warning message
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2021-07-19 11:22:06 +01:00 |
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536ba492fb
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error out on trying to dump strings or variables
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2021-07-18 17:47:01 -04:00 |
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57df891572
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avoid duplicate label
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2021-07-17 07:49:41 -04:00 |
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fb1e757524
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Merge branch 'lammps:master' into cg-dna
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2021-07-16 12:58:26 +01:00 |
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b7a17dc25d
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Added warning message in documentation and dsDNA ring test in examples
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2021-07-16 12:57:21 +01:00 |
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95792ac928
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Merge pull request #2833 from athomps/delete-last-mol
Delete last mol
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2021-07-15 17:16:48 -04:00 |
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dc70f97ad4
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restore changes from upstream that were undone by incorrectly resolving merge conflicts
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2021-07-15 15:44:35 -04:00 |
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d97ea4ebf6
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make dependency of CG-DNA on ASPHERE and MOLECULE a hard dependency
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2021-07-15 15:42:50 -04:00 |
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e99b8ed07c
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Merge branch 'master' into cg-dna
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2021-07-15 13:37:24 +01:00 |
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fb73382c94
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Documented restriction on molecular count >= 1 for fix rigid
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2021-07-14 11:13:54 -06:00 |
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6134164ad3
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pair style rann does not support per-atom stress or pair_modify nofdotr
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2021-07-11 20:03:52 -04:00 |
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eecc012525
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sphinx 4.1.0 failes to parse utils::logmesg(lmp,format,...) template function
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2021-07-11 14:56:47 -04:00 |
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9898941169
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update tersoff docs about tersoff/intel requiring intel compilers
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2021-07-11 08:00:01 -04:00 |
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b2a396da3c
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Merge pull request #2828 from tomswinburne/snap-scale
Adding scale parameter to pair/snap for fix/adapt
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2021-07-07 16:10:11 -04:00 |
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39bd342913
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Resolved conflict
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2021-07-07 10:04:05 +01:00 |
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c9ddee5e38
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Merge pull request #2824 from ndtrung81/dielectric-updates
Updates to the DIELECTRIC package
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2021-07-06 20:58:23 -04:00 |
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91790e8586
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Update Commands_kspace.rst
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2021-07-06 20:21:34 -04:00 |
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d041e5cba0
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we require at least zstd API version 1.4
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2021-07-06 13:39:07 -04:00 |
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71f82e81d7
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Merge branch 'snap-scale' into fm
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2021-07-06 17:23:24 +02:00 |
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3675bef2b0
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doc
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2021-07-06 14:06:27 +02:00 |
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4b81802ae8
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Created new feature branch for PR as per request
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2021-07-05 16:07:40 +01:00 |
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f84ab6f26b
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clarify fix nve impact
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2021-07-04 19:21:09 -04:00 |
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4b42b51006
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fix broken links
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2021-07-03 16:23:55 -04:00 |
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b314c83266
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fix up mistyped package names
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2021-07-03 16:19:15 -04:00 |
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c61480eace
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fix indexing for pppm/disp/dielectric
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2021-07-03 16:12:52 -04:00 |
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da06535be5
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fix doc build warnings
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2021-07-03 16:06:43 -04:00 |
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de3ac9d440
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update for package rename in upstream
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2021-07-03 15:38:24 -04:00 |
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430e7e962f
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Merge branch 'master' into dielectric-updates
# Conflicts:
# src/DIELECTRIC/Install.sh
# src/DIELECTRIC/pppm_disp_dielectric.cpp
# src/DIELECTRIC/pppm_disp_dielectric.h
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2021-07-03 15:27:57 -04:00 |
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3b480397d1
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Merge pull request #2822 from akohlmey/next_patch_release
Step version strings for next patch release
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2021-07-02 17:08:28 -04:00 |
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bee95e41ae
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Added references to example input scripts to the doc pages
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2021-07-02 14:06:06 -05:00 |
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48d3acb52b
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Updated the doc pages for the /dielectric styles
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2021-07-02 13:45:08 -05:00 |
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34fa0da60e
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Merge branch 'master' into package-reorganization-step1
# Conflicts:
# doc/src/Packages_details.rst
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2021-07-02 13:24:49 -04:00 |
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411d1f1240
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move fix imd from USER-MISC to MISC
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2021-07-02 13:19:47 -04:00 |
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bf5934e581
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Merge pull request #2795 from jtclemm/fabric
Add fabric tensor compute
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2021-07-01 21:59:48 -04:00 |
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c495fdfdf3
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step version strings for next patch release
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2021-07-01 20:17:07 -04:00 |
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58196d57f1
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New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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2021-07-01 00:51:55 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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e4bb7da69f
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small tweak
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2021-06-30 20:25:21 -04:00 |
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7ba9c22d2c
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update installation instructions and remove references to patches which we don't provide anymore
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2021-06-30 14:54:58 -04:00 |
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11328cbed2
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update package variables and implement minimal/most selection of packages
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2021-06-30 14:45:26 -04:00 |
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