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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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2d4bb8f38c
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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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2021-06-29 19:45:38 -04:00 |
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8e185a1a12
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rename USER-DPD to DPD-REACT
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2021-06-29 19:41:23 -04:00 |
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6ceedb62be
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rename USER-REAXC to REAXFF
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2021-06-29 19:37:55 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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8bf6805e1d
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rename USER-LB to LATBOLTZ
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2021-06-29 17:07:14 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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995195606e
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rename USER-RANN to ML-RANN
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2021-06-29 16:32:06 -04:00 |
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d52cd88492
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rename USER-QUIP to ML-QUIP
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2021-06-29 15:55:41 -04:00 |
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fd24820603
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rename USER-PACE to ML-PACE
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2021-06-29 15:45:50 -04:00 |
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031e537d3f
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rename USER-HDNNP to ML-HDNNP
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2021-06-29 15:38:45 -04:00 |
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efaec31a84
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rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
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2021-06-29 15:28:27 -04:00 |
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9cb82f4033
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update docs for renames examples folders
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2021-06-29 11:31:57 -04:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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eda2cd965e
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rename MLIAP package to ML-IAP
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2021-06-29 10:44:32 -04:00 |
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9a740a4a60
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add lammps_kokos_finalize() support to various LAMMPS wrappers and document
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2021-06-27 17:07:42 -04:00 |
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4a0750ade0
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correct documentation under restrictions for temp/csld and temp/csvr fixes
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2021-06-25 15:46:30 -04:00 |
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9fb7e25413
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correct escape
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2021-06-24 09:25:35 -04:00 |
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8a344918a9
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no escape needed
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2021-06-24 09:15:58 -04:00 |
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d5e5f590e8
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Updating documentation, adding compute scalar
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2021-06-22 14:14:25 -06:00 |
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f4de4902e2
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new compute dipole command
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2021-06-22 11:57:29 -04:00 |
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31011252e3
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reformat, mention compute dipole
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2021-06-22 11:57:08 -04:00 |
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60e1c2be6d
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fix formatting and spelling
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2021-06-22 11:56:46 -04:00 |
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ddc596170e
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Merge pull request #2803 from akohlmey/collected-small-changes
Collected small changes
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2021-06-21 12:59:16 -04:00 |
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f59273fb09
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Merge pull request #2796 from macstein/mliap_so3_ver2
Add support for SO3 descriptor to MLIAP package
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2021-06-21 11:03:11 -04:00 |
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72221238d6
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correct indentation
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2021-06-21 09:45:35 -04:00 |
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651772e6fa
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spelling
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2021-06-20 15:51:38 -04:00 |
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0ce9d147a4
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fix typo
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2021-06-20 15:50:07 -04:00 |
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15033d59e6
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reorder package details paragraphs, fix broken reference to plumed
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2021-06-19 20:37:29 -04:00 |
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b3c3714e7d
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pair style bop is not compatible with hybrid styles and multi-cutoff
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2021-06-18 23:39:42 -04:00 |
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94ff9d1796
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add missing word
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2021-06-18 23:39:09 -04:00 |
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2a15276005
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Fix omitted word typo
Very minor edit. Not sure if a fork and PR is the way you'd prefer edits or if I should've just filed an issue/sent an email.
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2021-06-18 11:17:37 +01:00 |
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6b56177e48
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small updated to variable description in fix_charge_regulation.rst
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2021-06-15 10:44:45 -05:00 |
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73d97241f2
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simplify large memory use explanation
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2021-06-15 06:58:42 -04:00 |
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48c2ed2430
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remove trailing whitespace
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2021-06-15 06:57:46 -04:00 |
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a0e0f5e1bd
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Update pair_mliap.rst
added note regarding SO3 pre computations and array size.
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2021-06-14 23:49:44 -07:00 |
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80964619c8
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add documentation for pair_mliap regarding so3 and nn
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2021-06-14 22:59:30 -07:00 |
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14ca95026f
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begin documentation for SO3 MLIAP descriptor
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2021-06-13 18:29:36 -04:00 |
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5b91fd8193
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whitespace
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2021-06-12 21:24:26 -04:00 |
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263d92eff5
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whitespace
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2021-06-11 16:30:01 -04:00 |
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431ab35732
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whitespace
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2021-06-11 15:10:53 -04:00 |
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5da4d78308
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Merge branch 'master' into fabric
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2021-06-11 15:10:20 -04:00 |
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f14a4377ce
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spelling
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2021-06-10 23:16:44 -04:00 |
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fe0422d042
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whitespace
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2021-06-10 23:16:44 -04:00 |
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c9d38b7b6d
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Mention contact number in documentation
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2021-06-10 15:16:15 -06:00 |
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06ff2f897a
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Fixing typos in documentation and comments
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2021-06-10 14:08:19 -06:00 |
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7dda30a198
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Adding type filter
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2021-06-10 11:40:09 -06:00 |
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41bdf0f398
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address spelling issues and update list of false positives
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2021-06-08 18:46:48 -04:00 |
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832ae2c049
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Merge branch 'master' into user-dielectric
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2021-06-08 17:11:37 -04:00 |
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