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8e9037ac95
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Add request to contact if interested in more pair styles
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2019-07-03 16:19:26 -04:00 |
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5ef389eaea
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Mention that a smoothly truncated potential works better
Add a table of pair styles that implement single_hessian
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2019-07-03 14:45:45 -04:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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4314e6df44
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Merge branch 'master' into Ncreate_atoms
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2019-07-02 22:59:18 -06:00 |
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0c4af8b820
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spelling: attempt add file paths to false positives
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2019-07-02 22:13:06 -06:00 |
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2ce7da80d1
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Add Kokkkos FFT build options
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2019-07-02 08:28:18 -06:00 |
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350d8f5812
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Missing some hybridpair replacement
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2019-07-02 15:51:52 +02:00 |
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0761c4dbb9
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Name change hybridpair->pair/hybrid
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2019-07-02 10:47:36 +02:00 |
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6fc5810bb4
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with the refactored include handling we can allow include in if/then/else
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2019-07-02 01:31:19 -04:00 |
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41e8cf3d69
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Merge branch 'master' into kim-simulator-models
# Conflicts:
# src/input.cpp
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2019-07-02 01:15:29 -04:00 |
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fb5e7e6f3b
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add note about USER-MISC package
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2019-07-01 12:06:40 +01:00 |
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483b1dbef5
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Update fix_bond_react.txt
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2019-06-30 21:19:04 -06:00 |
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78af594381
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fix typos. restore compilation of LAMMPS class implementation with OpenMP
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2019-06-30 22:45:41 -04:00 |
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a720aedabc
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Workaround to make formatting of code blocks consistent
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2019-06-28 20:54:10 -04:00 |
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2c119551f7
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add statement about order of include files
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2019-06-27 22:13:42 -04:00 |
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9c53a5ca3f
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add first draft of a summary of the rules for include files
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2019-06-27 21:40:28 -04:00 |
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121947e79d
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Added hcp query example to kim_commands
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2019-06-27 12:52:20 -05:00 |
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312a1fa004
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Added species to kim_queries in docs and some other edits
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2019-06-27 07:58:32 -05:00 |
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2fd924562b
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Spell correction
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2019-06-25 15:15:30 +02:00 |
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6a6d08e18e
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Better compute_pressure hybrid and doc
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2019-06-25 12:01:29 +02:00 |
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8fd1aaba7e
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Merge pull request #1535 from evoyiatzis/class2
Implementation of inner/middle/outer compute methods for lj/class2/coul/long
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2019-06-25 06:00:06 -04:00 |
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f6842e643e
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Merge pull request #1525 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch
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2019-06-24 23:55:50 -04:00 |
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483353a017
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Merge remote-tracking branch 'lammps/master' into kim-simulator-models
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2019-06-24 15:35:06 -05:00 |
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86d878a7eb
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Updated language on availability of ADP potentials in OpenKIM
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2019-06-24 15:26:41 -05:00 |
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b653536750
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Switched pair_style kim doc to "KIM Portable Model" terminology
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2019-06-24 14:38:44 -05:00 |
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1047d8f80e
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Change of terminology to "KIM Portable Model" and streamlining
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2019-06-24 14:32:40 -05:00 |
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c8a2f61c16
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Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models
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2019-06-24 13:55:22 -05:00 |
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0ddcc023a5
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Improvements and additions to kim_commands doc
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2019-06-24 13:54:55 -05:00 |
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7afcfccf48
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follow convention to list all commands in a file as header
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2019-06-24 13:51:41 -04:00 |
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2159a8c44a
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Arch specific words
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2019-06-24 16:14:29 +05:30 |
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bfd0c4228d
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Added text that ADP potentials are available in KIM as well as NIST
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2019-06-23 18:29:59 -05:00 |
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cf008c163d
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Corrected box rescaling
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2019-06-23 18:01:35 -05:00 |
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d150feb41a
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Small change to KIM package build
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2019-06-23 17:46:00 -05:00 |
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94e1f87cb8
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Moved some content from pair_kim docs to kim_commands
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2019-06-23 17:36:36 -05:00 |
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881f9ff043
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Updated the pair_kim docs
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2019-06-23 17:36:10 -05:00 |
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b5d4cf4bfd
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Updated KIM package information
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2019-06-23 17:23:21 -05:00 |
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e42e1e64a8
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Added explanation on Model and SM pages
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2019-06-23 14:50:52 -05:00 |
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c9160e66f2
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Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models
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2019-06-23 14:21:55 -04:00 |
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b2ba0550d7
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Some minor typo fixes in kim_commands.txt
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2019-06-23 13:19:48 -05:00 |
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f31faafeec
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modification in the doc file of lj/class2 style
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2019-06-23 20:18:39 +02:00 |
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493269431c
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add a few more false positives
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2019-06-23 14:17:30 -04:00 |
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c9cb6e3658
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remove obsolete files
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2019-06-23 13:12:23 -04:00 |
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7f00cf8c12
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Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models
# Conflicts:
# doc/src/kim_commands.txt
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2019-06-23 13:11:56 -04:00 |
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a6f6c9bed0
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fix up links, spelling issues, and inconsistent names in kim commands docs
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2019-06-23 12:41:29 -04:00 |
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d08867ce0a
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Completed first version of kim_commands documentation
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2019-06-23 11:39:06 -05:00 |
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33be7f259b
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Working on kim_commands documentation
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2019-06-22 21:49:29 -05:00 |
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17fa2f787b
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Added kim_command documentation structure
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2019-06-22 15:25:21 -05:00 |
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58f9380c45
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Archlinux install documentation
Link to #1495
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2019-06-22 19:46:21 +05:30 |
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7a56a4be24
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add option to pair_modify to explicitly turn off F dot r
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2019-06-21 14:18:18 -04:00 |
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a01421db99
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Merge branch 'master' into collected-small-changes
# Conflicts:
# doc/src/pair_spin_dipole.txt
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2019-06-20 14:38:51 -04:00 |
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