ceb9466172
Merge pull request #3283 from akohlmey/next_patch_release
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Step version strings for next patch release
2022-06-02 21:22:16 -04:00
2da61d69a1
Merge pull request #3289 from akohlmey/collected-small-changes
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A few last minutes updates and fixes for the next patch release
2022-06-02 20:16:39 -04:00
ad97d18ac7
Merge pull request #3286 from Colvars/update-colvars-lepton
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Update Colvars to 2022-05-24 and copy of Lepton library
2022-06-02 18:09:05 -04:00
260a5f4d52
update false positives
2022-06-02 14:39:08 -04:00
7a02043f18
update docs to list examples and include links to the tutorials
2022-06-02 12:11:10 -04:00
6c375ffade
Update PDF Colvars manual
2022-06-02 11:48:19 -04:00
3a1423dc48
Update Colvars to 2022-05-24 and copy of Lepton library
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One bugfix for the Colvars library in the ABF method, and update of the copy
of the Lepton library as per the OpenMM repository.
List of relevant PR.
- 483 Update Lepton via patching procedure
https://github.com/Colvars/colvars/pull/483 (@giacomofiorin)
- 482 Fix integer overflow in log_gradient_finite_diff and gradient_finite_diff
https://github.com/Colvars/colvars/pull/482 (@HanatoK)
2022-06-02 11:24:04 -04:00
b45117655e
move patch release date
2022-06-01 16:13:45 -04:00
8e9071b01f
move and update threebody/table examples
2022-06-01 14:22:53 -04:00
ee6e18f08e
Merge branch 'develop' into schererc/develop
2022-06-01 12:07:06 -04:00
b85b3e1f4c
fix doc file names and links
2022-06-01 12:06:56 -04:00
3a19b1eb4b
Update pair_style.rst
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pair_style.rst: update due to name changes from 3b/table to threebody/table and sw/3b/table to sw/angle/table
2022-06-01 16:16:13 +02:00
f6fab8365a
Update Commands_pair.rst
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Commands_pair.rst: update due to name change from 3b/table to threebody/table and sw/3b/table to sw/angle/table
2022-06-01 16:14:37 +02:00
64d67f7604
Update pair_sw_angle_table.rst
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pair_sw_angle_table.rst: minor correction
2022-06-01 16:12:13 +02:00
c1e301ac1a
Update pair_3b_table.rst
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changed documentation and file name from pair style 3b/table to threebody/table
2022-06-01 16:11:47 +02:00
ebce66389e
Update and rename pair_sw_3b_table.rst to pair_sw_angle_table.rst
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changed documentation and file name from sw/3b/table to sw/angle/table
2022-06-01 14:24:40 +02:00
de5c2629ac
small tweak
2022-05-31 06:53:19 -04:00
3f332ab0c1
step version strings for next patch release
2022-05-31 06:51:13 -04:00
4c36c79652
remove feature for automatic jpeg/png/zlib library download and build
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this is a post-stable feature and would require a general rewrite of offline processing
2022-05-28 15:20:22 -04:00
587999fabb
mention that MSM does not support shrink-wrap
2022-05-26 15:33:23 -04:00
d9b560e70b
properly integrate into manual
2022-05-26 12:08:21 -04:00
2a7407aa38
programming style updates
2022-05-26 11:41:51 -04:00
48f477e4b4
Update pair_sw_3b_table.rst
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Small correction
2022-05-26 15:19:41 +02:00
f9fbc7f94b
doc/src/pair_3b_table.rst: documentation for added pair style 3b/table
2022-05-26 14:17:36 +02:00
0e114b1041
doc/src/pair_sw_3b_table.rst: documentation for added pair style sw/3b/table
2022-05-26 13:35:40 +02:00
9f7833668a
whitespace
2022-05-22 18:15:10 -04:00
0069c4b562
update docs for automatic jpeg/png/zlib library download and build with CMake
2022-05-22 18:10:26 -04:00
7eb926c853
clarify the description of pair style none
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explain that pair style none is effectively deleting any existing
pair style and that communication and neighbor list cutoff are affected.
update those explanations for changes to LAMMPS that allow adjusting
those not just with the neighbor list skin.
Also add that pair_coeff must not be used.
2022-05-20 07:14:05 -04:00
21c2f8a74b
fix miscalculated example
2022-05-20 01:06:21 -04:00
07e93a643a
spelling
2022-05-19 23:36:54 -04:00
13fc4f3588
must install wheel package before all other packages
2022-05-19 23:07:12 -04:00
36d091baeb
fix underline
2022-05-19 23:06:54 -04:00
4801fa00f8
update MathJax to latest bugfix release
2022-05-19 22:53:48 -04:00
7b0c7c04ed
address sphinx issues and make command list consistently list all min styles
2022-05-19 12:21:06 -04:00
2138aea01f
Merge branch 'two-command-tables' into collected-small-changes
2022-05-19 12:16:37 -04:00
5990241fbe
refactor min_style spin doc page
2022-05-19 09:13:47 -06:00
898eda794c
minor updates
2022-05-19 00:06:11 -04:00
5ac8e5639a
more information about compiling LAMMPS on windows
2022-05-19 00:06:00 -04:00
fa6c81849b
split Command table into two tables
2022-05-18 16:26:58 -06:00
e94275391c
Merge branch 'develop' into collected-small-changes
2022-05-17 22:10:15 -04:00
72209b0617
Merge pull request #3258 from akohlmey/create-atoms-mesh
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Create atoms from STL mesh
2022-05-17 18:11:41 -04:00
f9efa426a7
Merge pull request #3256 from lammps/delete-atoms-exact
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Delete atoms exactly by fraction or count
2022-05-17 16:25:21 -04:00
ae979aca4e
consistently use prefactor instead of pre-factor (the former was more common)
2022-05-17 16:20:10 -04:00
38d7fcee92
correct and update create_atoms mesh documentation
2022-05-17 16:16:32 -04:00
d487ab10e2
doc page and unittest tweaks
2022-05-17 12:00:40 -06:00
dbb3e75f24
change partial to random
2022-05-17 11:02:42 -06:00
f62363516c
streamline the refactored interface for delete_atoms partial some more
2022-05-15 01:56:45 -04:00
55fef9a482
Fixing typos and cleaning up quasirandom comments
2022-05-14 11:39:20 -06:00
9a9bb749fa
Merge remote-tracking branch 'github/develop' into collected-small-changes
2022-05-14 10:39:18 -04:00
9661711a1e
avoid out-of-bounds access in dump style cfg, update docs with simpler semantic
2022-05-14 09:39:50 -04:00
