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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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3bce886ab7
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workaround style checker issue
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2021-08-23 22:16:39 -04:00 |
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c84ebd1c93
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update docs for build options for development
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2021-08-23 21:43:49 -04:00 |
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1ee1471b56
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fix spelling errors
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2021-08-23 21:42:48 -04:00 |
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9ce9d36ac5
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correct package designations for styles in the EXTRA-MOLECULES package
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2021-08-22 11:27:48 -04:00 |
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3083e6f4cb
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make ewald/disp/dipole an alias for ewald/disp for more obvious choices for users
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2021-08-21 15:56:46 -04:00 |
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1eb506002b
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Merge pull request #2888 from lammps/sticker-bonds
Sticker bonds
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2021-08-20 14:28:57 -04:00 |
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fcc6cc628e
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fix whitespace
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2021-08-20 13:47:24 -04:00 |
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3404920e98
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Merge pull request #2342 from lammps/fix-property-array
Enable fix property/atom to create custom arrays
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2021-08-19 17:33:55 -04:00 |
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f7c8b0c88b
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address spellcheck issues
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2021-08-19 17:00:46 -04:00 |
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bc6e805c99
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fix doc formatting issues
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2021-08-19 16:53:03 -04:00 |
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e1c1c663c4
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correction to doc page
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2021-08-19 14:21:15 -06:00 |
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eebbbe9f73
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support a second usage model with fix bond/swap
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2021-08-19 14:01:06 -06:00 |
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9470a0eeb6
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clarified doc pages for fix property/atom and read_data
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2021-08-19 11:34:25 -06:00 |
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093fbfd4b5
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add documentation for pair style coul/exclude
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2021-08-19 05:25:36 -04:00 |
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5e6079c2fc
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Merge branch 'fix-property-array' of github.com:lammps/lammps into fix-property-array
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2021-08-18 16:54:02 -06:00 |
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cf25a586bd
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debugging merged version
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2021-08-18 13:07:49 -06:00 |
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355dd5db9b
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include 2 use cases in doc page
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2021-08-18 11:55:47 -06:00 |
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e08c4abb4b
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whitespace fixes
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2021-08-18 13:06:00 -04:00 |
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c57da0661d
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update package name
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2021-08-18 12:49:16 -04:00 |
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96280dc185
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Merge branch 'master' into fix-property-array
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2021-08-17 12:19:27 -06:00 |
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e6af1eecb8
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resolved merge conflicts with master
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2021-08-17 11:55:33 -06:00 |
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18cc43a560
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extend ArgInfo class to also accept "i2_name" and "d2_name"
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2021-08-17 12:04:58 -04:00 |
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eb52f7c290
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Update Colvars to version 2021-08-06 (silence Coverity Scan warnings)
Also include PDF copy of the manual forgotten in previous PR.
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2021-08-06 10:32:37 -04:00 |
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0938bc8999
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update docs for hybrid style updates
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2021-08-02 21:53:31 -04:00 |
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50e8d7c36b
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Merge pull request #2859 from akohlmey/next_patch_release
Step version strings for next patch release
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2021-07-30 16:40:10 -04:00 |
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9dc662973e
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step version strings for next patch release
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2021-07-29 21:18:03 -04:00 |
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5cdf55937d
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move pair style tracker to a better location
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2021-07-29 17:17:06 -04:00 |
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294ac76f41
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forgot to move pair style beck to EXTRA-PAIR
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2021-07-28 18:33:33 -04:00 |
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b59f23068f
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Merge pull request #2851 from akohlmey/next_patch_release
Step version number strings for the next patch release
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2021-07-28 15:26:03 -04:00 |
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269690b771
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document hard package dependencies
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2021-07-27 18:21:22 -04:00 |
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c4eee478b1
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move back to src for dependencies
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2021-07-27 15:53:35 -04:00 |
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3ff096e517
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Merge pull request #2848 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-07-27 14:24:12 -04:00 |
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f7f85822a9
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move some more computes from EXTRA-COMPUTE back to src because of dependencies
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2021-07-27 12:07:27 -04:00 |
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8838fbc1c3
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Merge pull request #2850 from akohlmey/lammps-gather-bonds
Implement lammps_gather_bonds() into the C-library interface and the Python module
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2021-07-27 11:30:19 -04:00 |
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ec069595f7
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move compute orientorder/atom because compute coord/atom depends on it
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2021-07-27 11:16:40 -04:00 |
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2d488bab6b
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Merge branch 'master' into collected-small-changes
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2021-07-27 11:15:00 -04:00 |
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044fe2e49d
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step version number strings for the next patch release
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2021-07-26 23:09:18 -04:00 |
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458253b452
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add python interface with optional numpy support for lammps_gather_bonds()
unit tests are included
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2021-07-26 22:40:21 -04:00 |
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829bc8a617
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update equation for updated NEB code
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2021-07-26 18:45:37 -04:00 |
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fdc75dcf35
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add lammps_gather_bonds() function to the C library interface
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2021-07-26 18:32:06 -04:00 |
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1fa621d02d
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correct quoted screen output
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2021-07-25 21:18:52 -04:00 |
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ef244c3061
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small updates to the introduction
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2021-07-25 21:05:33 -04:00 |
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7e6a06b1cc
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update Pizza.py URLs
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2021-07-25 21:04:26 -04:00 |
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0513ba2df5
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spelling
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2021-07-25 20:28:14 -04:00 |
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5a79429f03
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fix up some more package designations and clean up some legacy formatting
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2021-07-25 20:23:37 -04:00 |
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afc54639c4
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update references to USER-MISC package
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2021-07-25 10:42:35 -04:00 |
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41db4235d6
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update package names for pair style moved away from USER-MISC
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2021-07-25 10:28:40 -04:00 |
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513e792ece
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fix required package message
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2021-07-25 10:15:15 -04:00 |
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9d9b089700
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get rid of references to USER-MISC in the general discussion
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2021-07-25 10:03:16 -04:00 |
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