740b206e7f
Tightened up the definitions of deltamu's and conc's
2024-06-18 11:04:47 -06:00
43cc8696dd
mention that verlet/split is not available for TIP4P
2024-06-18 08:46:18 -04:00
318b43f358
update group2ndx/ndx2group docs
2024-06-17 15:02:43 -04:00
11ef510a93
Merge branch 'lammps:develop' into improve_type_label_support
2024-06-13 19:26:42 -04:00
e95598a716
doc fixes
2024-06-13 09:17:09 -04:00
3865dda5a2
integrate new doc file into manual
2024-06-13 08:33:40 -04:00
1b040d7108
white space fix
2024-06-13 13:49:18 +02:00
8bbbe2dd6b
Update pair_dpd_coul_slater_long.rst
2024-06-13 11:43:57 +02:00
67d86b559e
Clarifying BPM logic and removing spelling errors in doc
2024-06-12 14:44:13 -06:00
610172b9dc
Merge branch 'lammps:develop' into cg-dna
2024-06-12 17:38:20 +01:00
2434ad6574
doc page
2024-06-12 17:29:16 +02:00
1a310f5729
Limit CoeffRest gran damping to non-cohesive, prevent potential nans
2024-06-11 17:03:15 -06:00
5ff853ce67
Merge branch 'develop' into small-patches
2024-06-11 16:56:28 -06:00
c190318649
Small doc page clarifications
2024-06-11 16:53:10 -06:00
09bea938c5
fix copy-n-paste error
2024-06-10 14:26:32 -04:00
d61c94c0f3
move group2ndx and ndx2group to new EXTRA-COMMAND package. update docs.
2024-06-10 14:14:36 -04:00
fa8f73689e
add /omp aliases to hybrid pair styles for consistency and added tests
...
without the aliases, the introspection check lead to skipping suitable tests
2024-06-10 07:33:17 -04:00
91b9308d4f
initial version of pair style hybrid/molecular
2024-06-09 07:02:18 -04:00
5be5a53801
correct documentation for added bond hybrid/kk
2024-06-09 04:10:52 -04:00
203194c7fb
Merge branch 'lammps:develop' into spica-kk
2024-06-06 14:13:32 -04:00
aaf5200316
Merge branch 'develop' into collected-small-changes
2024-06-06 02:17:50 -04:00
1fa67290c3
updated pair style and angle style /kk in docs
2024-06-05 19:56:29 -04:00
7ef9a93a75
Merge pull request #4167 from stanmoore1/kk_hybrid_topo
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Port hybrid bond topology styles to Kokkos
2024-06-05 09:44:54 -06:00
c1c3f21b36
Need to update index as well
2024-06-05 09:05:13 -06:00
777577b05e
Update docs
2024-06-05 09:00:01 -06:00
ecdc1bc336
Update docs
2024-06-05 08:29:33 -06:00
de988b271b
Merge branch 'develop' into collected-small-changes
2024-06-04 17:16:16 -04:00
f5253eb926
Merge pull request #4174 from akohlmey/atom-map-library-interface
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Add support for extracting a few more properties and the Atom::map() function to the library interface
2024-06-04 13:23:31 -06:00
fc0b155de9
Dam example, generalizing non-quintic kernels
2024-06-03 15:04:24 -06:00
7258b2972a
small LAMMPS-gui build documentation updates
2024-06-02 04:39:08 -04:00
10d09aca74
apply corrections to i-PI package on PyPi
2024-05-29 08:51:53 -04:00
1697f2a465
Merge branch 'develop' into remove-i-pi
2024-05-29 08:36:01 -04:00
e6a3462018
replace non-ASCII character
2024-05-28 19:59:42 -04:00
2d7515218c
improve wording
2024-05-28 19:55:59 -04:00
e8ee0d9e71
Merge pull request #4171 from akohlmey/sort-vector
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Add special variable functions sort() and rsort() for sorting vectors by value
2024-05-28 16:22:08 -06:00
05ba777c0a
Merge branch 'develop' into remove-i-pi
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# Conflicts:
# doc/src/fix_ipi.rst
2024-05-28 18:03:03 -04:00
dedcfa157c
Merge pull request #4157 from lab-cosmo/bugfix/ipi-neigh
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Performance improvements for fix_ipi
2024-05-28 15:06:15 -06:00
017d69f0e1
Removed whitespace
2024-05-28 11:19:32 +01:00
33351704a5
Invisible mais penible
2024-05-28 08:40:19 +02:00
bd5c600608
dump custom, 'typelabel' attribute
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writing strings to dump files previously was not implemented in general way.
did not refactor to make more general.
NOTE: added value to middle of enum
2024-05-27 23:58:58 -04:00
2afbf229ff
mention the i-PI removal
2024-05-27 19:00:38 -04:00
8f4cf55ada
update docs for i-PI removal
2024-05-27 18:58:18 -04:00
aa8cd7a4b9
Updated the documentation for i-PI
2024-05-28 00:07:07 +02:00
75a325751e
implement support for lammps_map_atom() to plugin loader, Fortran module, swig
2024-05-25 07:01:28 -04:00
694faf3235
register lammps_map_atom() with the documentation
2024-05-25 00:31:01 -04:00
e18395cf6e
add versionadded marker
2024-05-23 00:16:47 -04:00
4b81337b6a
add documentation for new special variable functions
2024-05-23 00:09:54 -04:00
86abf4f680
Fix input file bug and update examples
2024-05-22 21:25:31 -04:00
ad81558fe0
Included values in real units
2024-05-22 16:00:58 +01:00
3b091c0bd4
type label support for dump xyz
2024-05-21 19:35:04 -04:00
