9a849a4d4f
Merge branch 'master' into master
2019-08-19 15:55:39 -06:00
a5acf1655b
resolve small formatting glitch
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Text blocks must all be flush on the left side or else sphinx gets confused since indenting is part of the syntax.
2019-08-16 17:30:37 -04:00
cc14103f28
Bug fixes in granular pair style:
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- correct formula for tangent forces in style with no history in compute() and in single() functions
- remove tangent history update in the single() function
- implement correct output for tangent, normal and rolling forces in single() function
- correct typos in documentation
2019-08-16 15:28:36 -05:00
47533bc526
Update fix_wall_region.txt
2019-08-13 00:31:03 +02:00
ff09c19149
documentation for fix_wall_region morse
2019-08-13 00:10:50 +02:00
18725ce060
reformat documentation to match typical LAMMPS conventions, change links
2019-08-09 15:42:32 -04:00
11f1ba220b
fix typo
2019-08-09 15:30:55 -04:00
838238b1ca
documentation
2019-08-08 00:38:41 +02:00
d08d6b5fb0
Merge pull request #1623 from akohlmey/next-version
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Step version string for stable release
2019-08-06 11:17:40 -04:00
59046e7444
step version number for stable release
2019-08-06 08:52:54 -04:00
2d64323354
fix formatting and augment explanation for bbox option
2019-08-05 17:21:11 -06:00
25b504d4fd
Merge pull request #1615 from akohlmey/next_version
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Step version string for stable release
2019-08-05 19:13:17 -04:00
34cc7ed5b1
Merge pull request #1619 from ellio167/kim-doc-update
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Update kim query url in docs
2019-08-05 17:39:40 -04:00
2092b2c010
Step version string for stable release
2019-08-05 16:58:26 -04:00
e39b85b62f
Update kim query url in docs
2019-08-05 15:23:57 -05:00
f2757eaf41
Mention LAMMPS_LIB_SUFFIX in docs
2019-08-05 14:00:56 -04:00
096c225594
Merge pull request #1613 from rbberger/cmake_docs_update
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Update CMake documentation
2019-08-04 18:32:11 -04:00
b65ae605e5
Added one-liner for HTML-only docs in Build.txt
2019-08-03 15:17:18 -04:00
91fdd98fbc
restore accidentally deleted text
2019-08-02 18:44:40 -04:00
eb7fa1b6cb
Update CMake documentation
2019-08-02 17:04:59 -04:00
aff5f06e8f
Merge pull request #1612 from akohlmey/new_version
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Step version string for next patch release
2019-08-02 14:27:13 -04:00
bd3ffe1321
Merge pull request #1603 from eagunn/iss1572clean
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Iss1572clean: Clean fix for error handling, clarify data requirements for fix bocs input
2019-08-02 10:43:30 -04:00
11198e9d29
Merge pull request #1607 from giacomofiorin/colvars-update
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Update Colvars to version 2019-08-01
2019-08-02 10:43:13 -04:00
d750cc02c0
Changed the code in the read_F_table function to conform to the "expected behavior" description in #1572 . Adopted a best-of-both-worlds approach, though, and processed the whole input file all the way through, emitting a message for each problem found, before issuing a final error message to stop processing. Updated doc to clarify requirement for uniform spacing of pressure correction points.
2019-08-02 08:46:04 -04:00
9ed43e55f0
add some more descriptions for fixes to list of style in fix command docs
2019-08-02 08:41:34 -04:00
8fd28cd78d
fix typo
2019-08-02 08:40:59 -04:00
b5f19b93c2
Step version string for next patch release
2019-08-02 05:15:29 -04:00
5076f1a36c
small clean-up of fix.txt
2019-08-02 10:55:18 +02:00
52e2db44a1
Update Colvars to version 2019-08-01
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One new feature (geometric path variables) and bugfixes.
Minimize occurrence of file-read errors in multiple-walker metadynamics
https://github.com/Colvars/colvars/pull/276
Better error messages for RMSD
https://github.com/Colvars/colvars/pull/272
Ensemble-biased metadynamics documentation
https://github.com/Colvars/colvars/pull/261
Fix bug on multiple walkers metadynamics, pmf included twice
https://github.com/Colvars/colvars/pull/259
Implementation of the geometric path collective variables (C++11-only feature)
https://github.com/Colvars/colvars/pull/249
2019-08-01 15:15:58 -04:00
5fe457667e
restore showing references to potential files without pathnames
2019-08-01 11:19:39 -04:00
8f5cd8661f
Fix communication bug of ILP
2019-08-01 16:38:19 +03:00
8803183b8b
Merge pull request #1593 from akohlmey/next_version
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Step version string for next patch release
2019-07-30 22:25:26 -04:00
f4e3186abf
Commit JT 073019
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- modified the false_positive file to correct errors
- improved the doc page of fix nve/spin
2019-07-30 13:10:27 -06:00
2d93a713e2
Merge branch 'master' into collected-small-changes
2019-07-30 14:14:11 -04:00
b5621b2c90
Merge branch 'master' of github.com:alxvov/lammps into OSO
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Conflicts:
src/SPIN/neb_spin.cpp
2019-07-30 09:14:49 -06:00
74fa4f7415
Commit JT 073019
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- modified doc doc/src/min_modify.txt
- tested lattice minimizers with norm styles
2019-07-30 08:58:12 -06:00
8fa4efa08e
Merge pull request #1440 from ellio167/kim-simulator-models
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Develop native support for KIM simulator models
2019-07-30 10:53:58 -04:00
3eadfa15ef
Merge pull request #1512 from mkanski/rotate_molecules
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Extend support of "rotate" keyword to all styles of "create_atoms"
2019-07-30 10:53:37 -04:00
d1e8d7cbf8
Step version string for next patch release
2019-07-30 08:26:11 -04:00
aa3c44ad4a
modify documentation a bit
2019-07-30 12:02:10 +00:00
3ee86470bb
correct documentation URL for PLUMED
2019-07-30 05:53:28 -04:00
d201d6c2d1
fix grammar error
2019-07-30 10:18:53 +02:00
88523fdd6e
Merge pull request #1529 from rupertnash/compute_momentum
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add compute momentum command
2019-07-29 22:51:29 -04:00
d2c4989dbf
Merge pull request #1583 from evoyiatzis/gyration_shape
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computing the eigenvalues of gyration tensor & shape parameters
2019-07-29 22:16:13 -04:00
edf64ed16c
Merge pull request #1511 from jdevemy/master
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Add keyword hybrid/pair for compute_pressure
2019-07-29 22:15:20 -04:00
9004ebc3fe
one more fixup for compatibility for old PDF build scheme
2019-07-29 21:11:13 -04:00
90c678849a
replace non-ascii characters with ASCII equivalents
2019-07-29 21:10:49 -04:00
9f276be0e5
fix up legacy doc building for final kim doc files
2019-07-29 20:48:47 -04:00
6833d6def6
Merge branch 'master' into kim-simulator-models
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# Resolved Conflicts:
# src/KIM/kim_query.cpp
# src/KIM/pair_kim.cpp
2019-07-29 20:43:10 -04:00
7043b9f620
Merge pull request #1548 from jrgissing/bond/react-clarify-how-stabilization-works
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Bond/react clarify how stabilization works
2019-07-29 19:55:24 -04:00
