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d857600d9c
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start documenting functions in the MathSpecial namespace
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2022-04-27 04:46:18 -04:00 |
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385f0c6c95
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Update Kokkos build documentation to include hipFFT options.
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2022-04-27 10:13:03 +10:00 |
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831caaa150
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Merge branch 'collected-small-changes' into variable-vector-wildcard
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2022-04-26 17:26:17 -04:00 |
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d04cb4ba42
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edits to doc page
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2022-04-26 13:58:18 -06:00 |
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407f6af1ed
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Merge branch 'develop' of github.com:lammps/lammps into snap-inner-mod
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2022-04-26 08:13:30 -06:00 |
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192b22a6ce
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Set rng init for electrode/thermo
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2022-04-26 16:03:45 +02:00 |
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72011bf325
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Updated doc (use of overlap clarified)
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2022-04-26 11:55:24 +02:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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66b8ab9c6e
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Revamped examples
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2022-04-26 09:42:45 +02:00 |
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fdb7dfdea7
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also remove mode from fix ave/correlate
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2022-04-25 17:04:04 -06:00 |
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e7a9073ccd
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remove discussion of mode
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2022-04-25 17:01:15 -06:00 |
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65978c33b6
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2 more doc pages
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2022-04-25 16:06:52 -06:00 |
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bb8e953fb5
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add support for wildcards in variable vectors
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2022-04-25 15:43:08 -06:00 |
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811e5786fe
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Merge branch 'develop' into feature-create-atoms-exclude
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2022-04-25 19:30:52 +02:00 |
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960d3faa5e
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Merge branch 'master' of github.com:z-gong/lammps into collected-small-changes
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2022-04-25 02:58:17 -04:00 |
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a5cd95d6c6
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Add comment for the units in compute/viscosity
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2022-04-25 06:23:54 +02:00 |
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28900925f4
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Fix the unit for fix/accelerate/cos
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2022-04-25 05:59:41 +02:00 |
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6cfbd73bcd
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add documentation for new error and warning policy
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2022-04-23 16:40:28 -04:00 |
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4d1bdb4741
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add python tool to detect and remove (if desired) error docs from headers
also document the tools in the manual.
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2022-04-23 13:52:12 -04:00 |
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ce5d8a578e
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Merge pull request #3228 from run-towards-the-future/develop
A pull request for an optimized ILP(ilp/graphene/hbn) potential
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2022-04-23 12:42:27 -04:00 |
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8f019f4800
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doc fixes: spelling and links
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2022-04-23 07:34:44 -04:00 |
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d55e7f9e51
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Merge branch 'develop' into region-lookup-refactor
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2022-04-23 07:14:28 -04:00 |
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b1546a725c
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Merge pull request #3093 from Bibobu/Elastic_stress
Add compute born/matrix command to compute elastic stress
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2022-04-23 07:07:29 -04:00 |
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113fc0a77a
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Merge pull request #3227 from akohlmey/safer-data-file-parsing
Improve data file parsing and reported error messages
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2022-04-23 06:41:17 -04:00 |
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31470819c0
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Merge branch 'develop' into Elastic_stress
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2022-04-23 04:36:45 -04:00 |
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7bfa368d8d
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Merge pull request #2667 from ssande7/compute_temp_profile_dof
[BUGFIX] Collection of DoF-related fixes for compute temp/profile
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2022-04-23 04:31:38 -04:00 |
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26ca371d93
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 23:47:49 -04:00 |
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e49930df21
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Merge branch 'develop' into safer-data-file-parsing
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2022-04-22 23:13:39 -04:00 |
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471c728ac4
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Merge pull request #3224 from lammps/dynamic-groups
change update of dynamic groups to post_force location in timestep
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2022-04-22 23:11:17 -04:00 |
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cbefeeb677
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Merge pull request #3220 from athomps/specify-verlet
Explcitly state that fix nve uses velocity-Verlet integrator
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2022-04-22 23:10:48 -04:00 |
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8115e8a5a4
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Merge pull request #3226 from lammps/error-url
Add utility to print url with link to error message in online manual
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2022-04-22 23:10:21 -04:00 |
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9f9a5ca76f
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:53:02 -04:00 |
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9be8ef09a2
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Merge pull request #3229 from lammps/fix-adapt-angle
Fix adapt angle
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2022-04-22 22:44:18 -04:00 |
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cf647347c9
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Merge branch 'develop' into safer-data-file-parsing
# Conflicts:
# src/atom.cpp
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2022-04-22 22:25:41 -04:00 |
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8e9cc0eb51
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Merge branch 'develop' into compute_temp_profile_dof
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2022-04-22 22:16:42 -04:00 |
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47564ab6bc
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:11:41 -04:00 |
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1319cb2cf5
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fix typo
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2022-04-22 22:08:13 -04:00 |
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aed7bafac0
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Merge pull request #3217 from akohlmey/atomvec-strings
Refactor Atom and AtomVec classes to use std::string and std::vector for setting up per-atom data
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2022-04-22 22:03:26 -04:00 |
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5aebd151b6
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Update compute_temp_profile.rst
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2022-04-22 18:47:13 -06:00 |
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16dd89c641
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Added qualifier to assertions + note about inhomogeneous rigid systems
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2022-04-23 10:30:44 +10:00 |
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48d8094d95
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Merge branch 'develop' into snap-inner-mod
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2022-04-22 16:54:21 -06:00 |
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907bcd16a8
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Update compute_temp_profile.rst
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2022-04-22 14:21:57 -06:00 |
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da520bf8b7
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integrate better into manual and traditional build system
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2022-04-22 11:38:55 -04:00 |
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68d1c856b3
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fix typo
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2022-04-22 11:27:08 -04:00 |
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b4e2e2ec34
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add support for angle cosine
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2022-04-22 09:12:12 -06:00 |
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644b3f6933
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clarify and remove redundant text
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2022-04-22 09:32:10 -04:00 |
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dc4752ef63
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add convenience function for printing a missing arguments error message
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2022-04-22 08:28:14 -04:00 |
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13664a0185
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add utility to print url with pointer to error message
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2022-04-22 05:25:50 -04:00 |
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4de9ab85ce
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Completed inner cutoff, KOKKOS still in progress
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2022-04-21 17:30:12 -06:00 |
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3f3c481554
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add support to fix adapt for angle coeffs
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2022-04-21 17:00:11 -06:00 |
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