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53397fdda5
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Expand MDI examples README
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2021-05-12 18:31:10 -04:00 |
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64fa70f8d2
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Add USER-MDI README file
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2021-05-12 18:31:10 -04:00 |
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a731c43000
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Add docs for mdi_engine command and fix
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2021-05-12 18:31:10 -04:00 |
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2854ea29a5
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Add additional MDI examples
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2021-05-12 18:31:10 -04:00 |
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4a0b71f66b
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Add MDI example
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2021-05-12 18:31:10 -04:00 |
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e960674cea
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Merge pull request #2536 from jtclemm/multi_epcc
Add faster method for multi neighboring
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2021-05-12 15:25:28 -04:00 |
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8617770592
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Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
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2021-05-12 13:51:42 -04:00 |
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1d10147cb6
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reformat and shorten new example inputs
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2021-05-12 07:53:18 -04:00 |
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986a72ff6e
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remove executable permissions on non-executable files
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2021-05-12 06:32:58 -04:00 |
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f0e52981f2
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Merge branch 'master' into multi_epcc
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2021-05-12 06:16:52 -04:00 |
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57a2f21757
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add/update USER-BROWNIAN example inputs and logs
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2021-05-11 21:13:10 -04:00 |
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92c5951d6c
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Update to latest changes from upstream
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2021-05-11 17:49:03 -04:00 |
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e1b2235d36
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Update py_nve.py
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2021-05-10 18:42:27 -04:00 |
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147e561dca
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Update in.fix_python_invoke_neighlist example
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2021-05-07 12:51:58 -04:00 |
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f12f9166a5
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Resolving merge conflicts, updating URLs
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2021-05-05 11:19:44 -06:00 |
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6f5881e151
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Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
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2021-04-30 13:26:16 -04:00 |
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b88cdd6890
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Corrected implementation of ellipsoidal dynamics, made ashared base class for the time-integrators, templated the time-integrators (and so reversed changes that this PR had previously made to random_mars src files), combined docs of all three integrators.
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2021-04-30 16:30:04 +01:00 |
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49b540381c
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Merge branch 'master' into dpd_extended
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2021-04-23 15:03:03 -04:00 |
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3ac2b36993
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add link to Commands_pair.rst
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2021-04-23 16:10:00 +02:00 |
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2e63d126e3
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change dir to MISC
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2021-04-23 15:49:11 +02:00 |
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ad02e9df69
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Added example of SPCE hydration, LJ + q
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2021-04-22 18:40:45 +02:00 |
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58549fa10d
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Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
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2021-04-19 17:32:16 -06:00 |
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f2096ded96
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- improved design of test_problem
- cleaned up langevin/spin
- started doc for stt and hexaniso
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2021-04-19 17:09:53 -06:00 |
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668b74bc09
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Merge branch 'master' into spin-kokkos
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2021-04-16 17:08:38 -04:00 |
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f115b8ba2f
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Merge branch 'master' into dpd_extended
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2021-04-16 14:16:53 +02:00 |
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9031c23080
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add extended dpd (dpdext & dpdext_tstat)
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2021-04-16 14:14:18 +02:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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b53822da46
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provide Command base class in command.h for deriving command styles from
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2021-04-13 17:47:00 -04:00 |
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9bc353e5bd
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Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
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2021-04-12 18:49:03 -04:00 |
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455bb933c8
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adding modifications for more than one fix langevin/spin in fix nve/spin
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2021-04-12 16:18:22 -06:00 |
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0ca9f2e8a0
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Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
USER-PACE pair_style integration into LAMMPS
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2021-04-12 17:05:40 -04:00 |
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e95cbf618b
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Merge branch 'master' into charge_regulation2
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2021-04-12 09:55:15 -04:00 |
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7d95943b7e
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increased bin size in example input file to avoid dangerous builds
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2021-04-12 01:46:39 -05:00 |
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d81f03706c
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Added an example using real units.
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2021-04-12 01:30:36 -05:00 |
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b6b101f29a
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update melt example to use velocity with loop geom for consistent velocities
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2021-04-09 09:54:47 -04:00 |
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d54384dd91
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Merge branch 'master' into multi_epcc
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2021-04-07 16:34:01 -06:00 |
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0496626533
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Merge branch 'master' into feature/user-pace
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2021-04-07 16:26:26 -04:00 |
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0d1ccbe1b5
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Move A.Thomson's modifications on doc and examples in:
- doc/src/.rst
- examples/USER/pace
- potentials
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2021-04-07 12:43:28 +02:00 |
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1fe284dbba
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add examples for using fix rigid/nv?/small with fix deposit
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2021-04-06 07:55:43 -04:00 |
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c62b1b1050
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-04-02 16:08:51 -04:00 |
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4975295e0f
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- adding a force/clear equivalent for spins in verlet/kk
- setting all validation problems for spin/kk
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2021-04-01 11:45:16 -06:00 |
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f48af95d49
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update gcmc example to use fix rigid/small
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2021-04-01 08:23:10 -04:00 |
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2d0aad1904
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Merge branch 'spin-kokkos' of github.com:julient31/lammps into spin-kokkos
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2021-03-30 10:39:27 -06:00 |
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39dc3e69ba
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Commit before pull
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2021-03-30 10:35:25 -06:00 |
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71dbf43e09
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error our when Fix:set_molecule() is called with unsupported fixes
also add example input for using fix rigid/small with fix deposit
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2021-03-30 11:10:59 -04:00 |
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9b29b1594b
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add support for bond/angle/dihedral/improper plugins
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2021-03-18 14:40:41 -04:00 |
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31009b0517
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Merge branch 'master' into plugin-loader
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2021-03-16 19:46:21 -04:00 |
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f72013c5db
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Update displace.mod
The pressure tensor was not computed as time-averaged quantity but as instantaneous value
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2021-03-14 12:36:46 +01:00 |
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e3d9c3126b
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revert back to not supporting loading plugins on windows
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2021-03-13 10:25:44 -05:00 |
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d05137455c
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ignore build folders
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2021-03-12 22:21:24 -05:00 |
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