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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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b8d6df6461
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add missing platform scope
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2021-10-06 20:44:42 -05:00 |
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ec1a55b35b
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use platform code for reading/writing of compressed text file via a pipe
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2021-10-06 15:04:48 -04:00 |
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f641b1c659
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final chunk of changes to apply utils::logical()
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2021-09-23 07:30:40 -04:00 |
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914f035475
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a few more converted commands and updates for unit tests
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2021-09-21 17:23:41 -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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707d9f0ad2
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use correct data type for MPI calls
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2021-09-16 00:11:16 -04:00 |
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1c21560c70
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must not clear force array. will segfault in hybrid atom styles
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2021-09-10 20:33:49 -04:00 |
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c186b24292
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avoid segfaults due to uninitialized data
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2021-09-01 21:47:39 -04:00 |
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eaedd9ad48
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fix output issues
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2021-08-13 06:24:57 -04:00 |
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aeeb79b188
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correcting small bug in fix nve/spin
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2021-06-29 12:31:50 -06:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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e584a3b958
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Must use explicit scope on virtual functions when called from constructor
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2021-05-19 16:57:15 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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8874f8a63b
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simplify with new error functions. replace static string buffers.
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2021-05-05 21:12:06 -04:00 |
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a1665fddc8
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next iteration of preparing for clang-format
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2021-04-30 13:51:14 -04:00 |
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980244dd0c
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add protection comments
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2021-04-27 22:31:01 -04:00 |
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31d244dd80
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Merge pull request #2727 from akohlmey/refactor-read-lines-from-file
Move "read_lines_from_file" utility function from Comm class to utils namespace
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2021-04-26 13:24:24 -04:00 |
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7e7a448a08
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remove the old versions of the utility function and use the new
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2021-04-24 21:33:36 -04:00 |
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4738337e47
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update/trim list of include files according to the IWYU principle
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2021-04-24 13:22:39 -04:00 |
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5933750a85
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Merge pull request #2717 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2021-04-23 19:59:35 -04:00 |
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5a12baeef9
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remove dead code and silence compiler warnings
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2021-04-23 15:14:01 -04:00 |
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cbf81a5f9f
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make detection of styles more specific and still support suffixed versions
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2021-04-23 05:15:28 -04:00 |
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92cc30e7ba
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correctly determine the number of active pair style instances
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2021-04-23 05:13:36 -04:00 |
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7bae94cb49
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fix cut-n-paste bug detected by coverity scan
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2021-04-23 04:39:21 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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1c80c9455b
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whitespace fixes
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2021-04-21 14:58:57 -04:00 |
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6cad2ba829
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reverting changes in fix precession/spin
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2021-04-21 10:55:43 -06:00 |
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b1dd616a2f
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correcting a small typo in the checks, and adding a note in the
documentation of fix precession/spin about the error if a (0,0,0) vector
is given as an input.
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2021-04-21 07:43:00 -06:00 |
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0e38bfb58b
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adding "division by zero" checks in fix precession/spin
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2021-04-21 07:25:12 -06:00 |
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58549fa10d
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Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
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2021-04-19 17:32:16 -06:00 |
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a64378ba5b
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cleaning-up fix nve/spin and precession/spin
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2021-04-19 17:29:47 -06:00 |
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f2096ded96
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- improved design of test_problem
- cleaned up langevin/spin
- started doc for stt and hexaniso
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2021-04-19 17:09:53 -06:00 |
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e906fae88c
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whitespace fixes
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2021-04-16 17:10:07 -04:00 |
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668b74bc09
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Merge branch 'master' into spin-kokkos
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2021-04-16 17:08:38 -04:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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b53822da46
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provide Command base class in command.h for deriving command styles from
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2021-04-13 17:47:00 -04:00 |
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107d112265
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updates for thermo energy output
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2021-04-13 09:43:28 -06:00 |
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455bb933c8
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adding modifications for more than one fix langevin/spin in fix nve/spin
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2021-04-12 16:18:22 -06:00 |
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bb52cf9377
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adding mask check for fix prec/spin
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2021-04-12 15:01:29 -06:00 |
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573aebf06f
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adding possibility of one or more fix prec/spin in fix nve/spin
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2021-04-12 14:52:47 -06:00 |
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17e6f59463
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Merge branch 'spin-kokkos' of github.com:julient31/lammps into spin-kokkos
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2021-04-01 11:46:15 -06:00 |
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b34585762b
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updated sectoring function to account for triclinic cells. I didn't see a triclinic cell error warnings in SPIN/* or KOKKOS/atom_vec_spin_kokkos.cpp files.
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2021-04-01 01:00:25 -06:00 |
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183b30abd7
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use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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2021-03-30 18:30:22 -04:00 |
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39dc3e69ba
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Commit before pull
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2021-03-30 10:35:25 -06:00 |
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dfb18caf5a
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simplify using utils::strdup(), update order of include files
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2021-03-27 16:25:55 -04:00 |
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d26c744e54
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should use ev_init() not ev_setup()
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2021-02-09 09:17:08 -05:00 |
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33939a0e26
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Merge branch 'master' into thermo-energy
# Conflicts:
# doc/src/fix_ti_spring.rst
# src/RIGID/fix_rigid_small.cpp
# src/fix_langevin.cpp
# src/fix_temp_berendsen.cpp
# src/fix_temp_csld.cpp
# src/fix_temp_csvr.cpp
# src/fix_temp_rescale.cpp
# src/thermo.cpp
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2021-02-08 15:24:29 -05:00 |
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