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6a9bb577cf
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rename "zip" functions to "compress" functions. update related docs
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2021-10-07 12:38:11 -04:00 |
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059f450f1b
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add uppercase string utility function (for symmetry)
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2021-10-07 00:00:33 -04:00 |
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a9bccee7b2
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add utility to convert a string to lowercase
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2021-10-06 17:43:41 -04:00 |
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69e600c404
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Misc updates and style fixes
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2021-10-06 14:13:48 -06:00 |
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10a8a1b325
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add dlerror() call wrapper
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2021-10-06 08:59:51 -04:00 |
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6f2076a9b8
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update docs
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2021-10-05 22:11:19 -04:00 |
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fc5920812f
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new group arg for delete_atoms porosity
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2021-10-05 13:07:34 -06:00 |
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dd2b5b22d4
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fix saed/vtk does not use the overwrite option anywhere
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2021-10-04 17:22:58 -04:00 |
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69a8dfe4d9
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whitespace
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2021-10-02 18:12:32 -04:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -04:00 |
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373dbcd9ae
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fix typo
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2021-10-02 16:40:05 -04:00 |
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b5b2f5c03c
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additional tweak
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2021-09-30 17:11:49 -06:00 |
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f20bd63edf
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clarify doc pages for thermostatting fixes to mention regions
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2021-09-30 16:55:22 -06:00 |
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67ae6eb7b6
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Merge branch 'lammps:master' into type-labels
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2021-09-30 09:44:18 -04:00 |
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359aa1d805
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Merge branch 'master' into acks2_release
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2021-09-30 00:26:25 -04:00 |
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56cd66a6c3
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Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
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2021-09-29 23:05:59 -04:00 |
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2651e6ec2f
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make C library example work with strict C compilers
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2021-09-29 10:37:15 -04:00 |
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81d3eb0b2e
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add missing keyword
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2021-09-29 10:29:09 -04:00 |
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c4616d4a11
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Merge pull request #2962 from akohlmey/doc-updates
A few final updates to the LAMMPS manual
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2021-09-27 20:39:06 -04:00 |
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913ce25a01
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small tweak
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2021-09-27 17:13:32 -04:00 |
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9c4a82f286
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be more specific about what the name of the LAMMPS executable can be
also provide a few more examples without a machine suffix
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2021-09-27 16:50:25 -04:00 |
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9dbd5bb27d
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copy request to mention lammps.org form home page instructions for citing
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2021-09-27 16:49:29 -04:00 |
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d69cb9e847
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Changed \n to n \m to m
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2021-09-27 14:54:15 -04:00 |
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1e574b3e8a
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updated pair_nm doc
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2021-09-27 14:12:09 -04:00 |
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7601001632
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Fix Colvars output files not written with "run 0"
See:
https://github.com/Colvars/colvars/commit/ff2f0d39ee5
which fixes a bug introduced in:
https://github.com/Colvars/colvars/commit/1e964a542b
The message applies to NAMD, but the logic used in LAMMPS when handling "run 0" is very similar.
The Colvars version string is also updated, however this commit does not
include other changes, such as the following:
https://github.com/Colvars/colvars/pull/419
which were not fully completed before the LAMMPS Summer 2021 finalization.
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2021-09-27 13:38:30 -04:00 |
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ea030c6dd8
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Merge branch 'master' into collected-small-changes
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2021-09-26 18:12:40 -04:00 |
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0f2bebdb9b
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Adding bpm/spring pairstyle, misc small edits
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2021-09-24 10:45:46 -06:00 |
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a83797091b
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Finally added Pair_nm_cut_split and bond_fene_nm_cut_split
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2021-09-23 14:05:54 -04:00 |
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46f331095a
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update some formulations as suggested by @sjplimp
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2021-09-23 13:51:06 -04:00 |
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5b02f704cc
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Finally added pair_nm_cut_split fene_nm_cut_split
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2021-09-23 13:23:29 -04:00 |
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16ab49cff4
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update citation info with new LAMMPS paper reference and acknowledge it
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2021-09-23 11:59:43 -04:00 |
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5ef4913ebb
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Merge remote-tracking branch 'github/master' into programmer-guide-updates
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2021-09-23 11:16:31 -04:00 |
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e79ae552c8
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mention how to set the path to the fftw3_omp library
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2021-09-22 12:23:20 -04:00 |
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6adac6b637
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Merge branch 'master' into parse-logical-keyword
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2021-09-20 20:41:48 -04:00 |
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18f0d2e1b5
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Adding spring bondstyle
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2021-09-20 18:06:10 -06:00 |
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c39d3057dc
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insert missing atom-ID
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2021-09-20 16:14:18 -04:00 |
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5ff881fb0d
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Change "offsite" to "external" to correct broken URLs to lammps.org
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2021-09-20 12:05:52 -04:00 |
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22d7ce564a
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fix typo
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2021-09-20 07:29:10 -04:00 |
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4fcf343227
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fix typo
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2021-09-18 21:59:31 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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db76edbade
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implement utils::current_date() convenience function to reduce replicated code
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2021-09-18 09:05:35 -04:00 |
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cef100991f
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add utils::logical() function to complement the *numeric() functions
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2021-09-16 17:52:51 -04:00 |
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0fcc10b635
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fix typo
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2021-09-16 10:18:49 -04:00 |
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fef8f51d80
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refer to "XXX Coeffs" sections consistently
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2021-09-15 19:20:47 -04:00 |
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eb80102871
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spelling
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2021-09-15 13:51:31 -04:00 |
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c1fa663dd8
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Try to improve the pair style hybrid docs
This specifically tries to avoid the ambiguous use of "mixing" and
clarify that similar is still different when pair styles are concerned.
See discussion here: https://matsci.org/t/confusion-about-mixing-and-pair-coeff-section/38317/3
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2021-09-15 13:48:47 -04:00 |
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dfe0e313d5
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fully integrate acks2/reaxff fix into documentation build
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2021-09-14 15:31:36 -04:00 |
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3badb14b5a
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Whitespace
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2021-09-14 10:49:04 -06:00 |
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65a085c067
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Improve docs
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2021-09-14 10:45:45 -06:00 |
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fa3c29dda6
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Merge branch 'master' of github.com:lammps/lammps into acks2_release
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2021-09-14 08:41:23 -06:00 |
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