95285f9365
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-26 23:52:59 +02:00
49b540381c
Merge branch 'master' into dpd_extended
2021-04-23 15:03:03 -04:00
b2bfb26161
Merge https://github.com/lammps/lammps into pair_rann
2021-04-23 10:35:35 -05:00
3ac2b36993
add link to Commands_pair.rst
2021-04-23 16:10:00 +02:00
2e63d126e3
change dir to MISC
2021-04-23 15:49:11 +02:00
ad02e9df69
Added example of SPCE hydration, LJ + q
2021-04-22 18:40:45 +02:00
56be6d8ec2
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-04-20 23:20:14 +02:00
58549fa10d
Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
2021-04-19 17:32:16 -06:00
f2096ded96
- improved design of test_problem
...
- cleaned up langevin/spin
- started doc for stt and hexaniso
2021-04-19 17:09:53 -06:00
668b74bc09
Merge branch 'master' into spin-kokkos
2021-04-16 17:08:38 -04:00
f115b8ba2f
Merge branch 'master' into dpd_extended
2021-04-16 14:16:53 +02:00
9031c23080
add extended dpd (dpdext & dpdext_tstat)
2021-04-16 14:14:18 +02:00
75579fc100
take advantage of having the common Command base class to unify code paths
2021-04-14 07:05:00 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
9bc353e5bd
Merge pull request #2585 from tc387/charge_regulation2
...
Add fix charge/regulation to MC package
2021-04-12 18:49:03 -04:00
455bb933c8
adding modifications for more than one fix langevin/spin in fix nve/spin
2021-04-12 16:18:22 -06:00
0ca9f2e8a0
Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
...
USER-PACE pair_style integration into LAMMPS
2021-04-12 17:05:40 -04:00
e95cbf618b
Merge branch 'master' into charge_regulation2
2021-04-12 09:55:15 -04:00
7d95943b7e
increased bin size in example input file to avoid dangerous builds
2021-04-12 01:46:39 -05:00
d81f03706c
Added an example using real units.
2021-04-12 01:30:36 -05:00
b6b101f29a
update melt example to use velocity with loop geom for consistent velocities
2021-04-09 09:54:47 -04:00
ee240f93d9
Rearranged cutoff and element map user input
...
Cutoff radius is now mandatory argument of pair_style. "emap" keyword is
removed and replaced by additional pair_coeff arguments (similar to
pair_airebo.cpp). Changes in docs are still missing.
2021-04-08 23:54:26 +02:00
d54384dd91
Merge branch 'master' into multi_epcc
2021-04-07 16:34:01 -06:00
0496626533
Merge branch 'master' into feature/user-pace
2021-04-07 16:26:26 -04:00
0d1ccbe1b5
Move A.Thomson's modifications on doc and examples in:
...
- doc/src/.rst
- examples/USER/pace
- potentials
2021-04-07 12:43:28 +02:00
1fe284dbba
add examples for using fix rigid/nv?/small with fix deposit
2021-04-06 07:55:43 -04:00
c62b1b1050
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-04-02 16:08:51 -04:00
4975295e0f
- adding a force/clear equivalent for spins in verlet/kk
...
- setting all validation problems for spin/kk
2021-04-01 11:45:16 -06:00
f48af95d49
update gcmc example to use fix rigid/small
2021-04-01 08:23:10 -04:00
7b9dfb296d
Renamed pair style, user package: nnp => hdnnp
2021-04-01 00:35:17 +02:00
6dfd475175
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
2021-03-31 23:24:11 +02:00
2d0aad1904
Merge branch 'spin-kokkos' of github.com:julient31/lammps into spin-kokkos
2021-03-30 10:39:27 -06:00
39dc3e69ba
Commit before pull
2021-03-30 10:35:25 -06:00
71dbf43e09
error our when Fix:set_molecule() is called with unsupported fixes
...
also add example input for using fix rigid/small with fix deposit
2021-03-30 11:10:59 -04:00
4ea9a9bf04
Removed screening symmetry and added rann example
2021-03-29 15:23:22 -05:00
9b29b1594b
add support for bond/angle/dihedral/improper plugins
2021-03-18 14:40:41 -04:00
31009b0517
Merge branch 'master' into plugin-loader
2021-03-16 19:46:21 -04:00
f72013c5db
Update displace.mod
...
The pressure tensor was not computed as time-averaged quantity but as instantaneous value
2021-03-14 12:36:46 +01:00
e3d9c3126b
revert back to not supporting loading plugins on windows
2021-03-13 10:25:44 -05:00
d05137455c
ignore build folders
2021-03-12 22:21:24 -05:00
3e90b1971a
add preliminary support for compiling/loading plugins on windows
2021-03-12 22:21:11 -05:00
7b4e143176
support building plugins on MacOS (tested on version 11.0 aka Big Sur)
2021-03-12 14:29:40 -05:00
c3f6fb914f
add CMake build environment demo for plugins
2021-03-12 11:43:37 -05:00
d95d5f1954
store different factory variants in a union
2021-03-11 23:52:35 -05:00
83583c465e
add support for command plugins with example
2021-03-11 23:09:37 -05:00
9209cbba92
add support for loading plugins for fixes
2021-03-11 21:19:04 -05:00
f982d98574
small tweaks
2021-03-11 19:34:28 -05:00
dfe4f7a49d
small tweaks and simplify
2021-03-11 19:33:50 -05:00
ffda7fcc04
simpler interfaces
2021-03-11 14:02:21 -05:00
8e1ccb6123
next iteration: rename functions/files, split header, store dso handle
2021-03-11 07:26:57 -05:00
