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47c6f1633c
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Reverted the changes to examples/melt/in.melt, no need to add #REG
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2024-07-21 10:34:23 -05:00 |
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3ddb202853
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Removed the unnecessary thermo yaml file under examples/melt
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2024-07-21 10:32:44 -05:00 |
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051ed89851
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Reverted the unintentional changes to examples/bpm/impact/brokenDump
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2024-07-21 08:58:34 -05:00 |
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9676b0cb06
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Merge branch 'upstream' into regression-tests
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2024-07-20 16:46:49 -05:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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a9a896c677
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Small doc changes, renaming status variable
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2024-07-15 17:19:51 -06:00 |
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17b2282a1e
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Merge branch 'upstream' into regression-tests
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2024-07-09 08:24:46 -05:00 |
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17d736c0f9
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Merge branch 'develop' into electrode
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2024-07-03 15:17:43 -04:00 |
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66552d80da
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Merge branch 'develop' into rheo
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2024-07-03 03:42:44 -04:00 |
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49c84dbe1e
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Bugfix virial with fix electrode
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2024-07-01 10:05:28 +02:00 |
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1326592f23
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Proofing RHEO package
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2024-06-28 17:07:23 -06:00 |
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4bb71195aa
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Allow NULL for eta in fix electrode
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2024-06-26 12:08:45 +02:00 |
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6ef8472481
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Merge commit 'refs/pull/4168/head' of github.com:lammps/lammps into kokkospod
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2024-06-24 23:52:39 -04:00 |
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e195f1759f
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Remove unused parameters, change command name, and update documentation and examples..
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2024-06-24 22:32:35 -04:00 |
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b219bb8de8
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Merge conflicts
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2024-06-24 14:09:33 -06:00 |
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01a85639f9
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Merge branch 'develop' into kokkospod
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2024-06-23 03:56:39 -04:00 |
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fc539b46ea
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change all function ptrs and 2 example dump files
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2024-06-21 09:23:04 -06:00 |
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8ce284f125
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Merge pull request #4145 from jrgissing/improve_type_label_support
Improve type label support
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2024-06-20 16:30:22 -04:00 |
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734fdf4a46
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rename CG-DNA potential files
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2024-06-20 14:33:26 -04:00 |
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2dc7de417a
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Merge branch 'develop' into improve_type_label_support
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2024-06-20 08:56:02 -04:00 |
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9c8c04a7b4
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Merge branch 'develop' into cg-dna
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2024-06-20 02:44:29 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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4e0bf6137d
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Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
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2024-06-19 11:43:32 -04:00 |
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6ada6b7bf2
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update example for dpd/coul/slater/long
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2024-06-19 11:00:21 -04:00 |
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a4ac48addf
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add example file and author contrib
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2024-06-14 10:13:48 +02:00 |
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11ef510a93
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Merge branch 'lammps:develop' into improve_type_label_support
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2024-06-13 19:26:42 -04:00 |
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03251e823f
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add terminal newline
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2024-06-13 15:20:12 -04:00 |
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fb23df7bf7
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example input file
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2024-06-13 17:35:45 +02:00 |
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80e96d8c9b
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Bugfix electrode piston example
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2024-06-13 17:00:01 +02:00 |
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610172b9dc
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Merge branch 'lammps:develop' into cg-dna
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2024-06-12 17:38:20 +01:00 |
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8a94faee58
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Updated i-pi example
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2024-06-04 23:48:17 +02:00 |
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fc0b155de9
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Dam example, generalizing non-quintic kernels
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2024-06-03 15:04:24 -06:00 |
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09a57c01da
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Corrected email address
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2024-05-28 11:02:57 +01:00 |
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75a325751e
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implement support for lammps_map_atom() to plugin loader, Fortran module, swig
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2024-05-25 07:01:28 -04:00 |
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2fbfa623cd
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fix fdotr and update the force-styles unittest
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2024-05-22 23:56:16 -04:00 |
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86abf4f680
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Fix input file bug and update examples
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2024-05-22 21:25:31 -04:00 |
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938d117890
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Updated tests to contain full stdout
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2024-05-22 15:53:09 +01:00 |
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749e259294
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Moved test script
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2024-05-22 14:15:48 +01:00 |
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c2e4ad220f
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Update Ta example
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2024-05-22 00:37:47 -04:00 |
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ac561095b1
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Change int* to tagint*
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2024-05-21 21:51:26 -04:00 |
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d42b8ebb6c
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make use of new dump_modify in examples
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2024-05-21 19:40:28 -04:00 |
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4104e73bcd
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Delete InP training data
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2024-05-21 09:45:29 -04:00 |
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44ef81e900
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documentation and examples
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2024-05-21 09:39:36 -04:00 |
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58653e0a87
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Merge branch 'lammps:develop' into cg-dna
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2024-05-20 15:10:52 +01:00 |
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00cb38e823
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real unit and potential file examples (#16)
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2024-05-20 15:08:06 +01:00 |
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8d25c510c1
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Draft examples, patches, clarify interface reconstruct in RHEO
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2024-05-19 11:22:52 -06:00 |
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b31071e18f
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Removed exit status bug
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2024-05-15 22:03:56 +01:00 |
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c0daa9550a
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Reformatting
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2024-05-15 16:47:44 +01:00 |
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17e0e785ab
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Corrected typo
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2024-05-15 16:45:52 +01:00 |
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a7fe12cd7b
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Reformatting
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2024-05-15 16:07:59 +01:00 |
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