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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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9058216a54
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silence compiler warnings
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2021-03-29 14:11:56 -04:00 |
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180d2895c4
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Merge pull request #2678 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-03-29 14:05:08 -04:00 |
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1e3f1c584c
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simplify by using utils::strdup() fmt::format() and reorder includes
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2021-03-29 08:12:37 -04:00 |
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806f4e73ed
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make dihedral style table/cut a derived class from table and remove redundant code
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2021-03-29 07:32:43 -04:00 |
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e481eb1154
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simplify by using utils::strdup() fmt::format() and reorder includes
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2021-03-29 07:29:14 -04:00 |
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b32570c15e
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simplify by using utils::strdup() and reorder includes
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2021-03-28 22:22:13 -04:00 |
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0b73ab96d2
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avoid replicated code, consolidate variables and element mapping
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2021-03-27 12:09:36 -04:00 |
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ca1496e028
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simplify
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2021-03-22 21:36:25 -04:00 |
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dd0d06e373
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fix a few more issues in USER-OMP and update indentation
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2021-02-24 20:45:07 -05:00 |
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09192d63a5
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plug another memory leak
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2021-02-24 19:56:12 -05:00 |
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c401d21c38
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update include statements to follow conventions
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2021-02-24 19:49:11 -05:00 |
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4245614c0d
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plug memory leaks
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2021-02-24 19:15:02 -05:00 |
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7efacdc911
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correctly handle the case of n=1. clean up some ugliness
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2021-02-24 18:37:39 -05:00 |
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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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7f338a17af
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fix whitespace
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2021-02-09 00:42:30 -05:00 |
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1b48ac0eaf
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Merge branch 'master' into collected-small-changes
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2021-02-08 22:46:21 -05:00 |
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d2b3677d6f
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whitespace fixes
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2021-02-08 21:45:58 -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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92605393f7
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correct initialization and memory leaks issues detected by valgrind
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2021-02-08 10:39:59 -05:00 |
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1609c498bc
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avoid integer overflow when computing memory usage
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2021-02-06 18:15:48 -05:00 |
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77402bdbc8
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avoid overflows when computing memory offsets and allocating memory
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2021-02-06 18:14:27 -05:00 |
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26037982bc
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convert to double early when computing memory usage
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2021-02-05 19:42:40 -05:00 |
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24bf1e5b0c
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make use of utils::strdup()
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2021-02-04 17:33:02 -05:00 |
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4e791ac4f7
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replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
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2021-02-04 15:20:43 -05:00 |
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95e2214d96
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more typecasts to double to avoid 32-bit int overflows when computing memory usage
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2021-02-04 14:35:38 -05:00 |
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04a46bfd99
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Merge remote-tracking branch 'github/master' into arg-info-class
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2021-02-03 17:43:49 -05:00 |
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4b15ffcf14
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more use of ArgInfo class
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2021-02-03 17:43:39 -05:00 |
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e2e6639013
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add typecast to avoid (unlikely but possible) integer overflows.
this will silence a lot of static code analysis warnings
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2021-02-02 17:27:04 -05:00 |
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1a7cb4647f
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Merge pull request #2569 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-02-01 20:18:48 -05:00 |
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9a419154fa
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whitespace
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2021-02-01 10:15:06 -05:00 |
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48f15e485d
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put consistent definition of INVOKED_* constants as enumerator into compute.h
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2021-01-31 20:13:47 -05:00 |
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222d842b45
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Merge pull request #2435 from sramirezh/adding_new_pair
Adding new Wang-Frenkel potential pair style
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2021-01-29 16:22:39 -05:00 |
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51ac5e34ee
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make name of include guard consistent with file name
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2021-01-28 04:12:39 -05:00 |
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cd6ebec652
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fix incorrect data type (double vs int) in restart and data file handling
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2021-01-28 03:46:46 -05:00 |
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ef351bc9a6
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simplify using the powint() function by importing the MathSpecial namespace
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2021-01-28 03:46:09 -05:00 |
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dac0a685e1
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remove dead code
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2021-01-28 03:45:15 -05:00 |
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191a91caa2
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imported math_special
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2021-01-28 03:08:53 +00:00 |
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10af9fbb7d
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Merge branch 'adding_new_pair' of github.com:sramirezh/lammps-Developing into adding_new_pair
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2021-01-28 01:58:57 +00:00 |
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3ed1aa3a72
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replaced pow by powint
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2021-01-27 20:57:46 -05:00 |
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9ceef78bec
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included inumeric instead of numeric
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2021-01-28 01:35:15 +00:00 |
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21cd69b5d7
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Changed the header
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2021-01-28 01:31:36 +00:00 |
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11841bf638
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created the pair style files
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2021-01-28 00:36:42 +00:00 |
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ddcde9c2a5
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Updated the user-misc readme
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2021-01-28 00:36:42 +00:00 |
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bca3164fc4
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fix whitespace issues
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2021-01-26 18:39:02 -05:00 |
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80bac27184
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extra files that were not checked in
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2021-01-26 11:02:27 -07:00 |
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6147b9c2ef
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doc page updates for energy contributions of thermostat and non-thermostat fixes
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2021-01-26 08:51:47 -07:00 |
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320ba4ef8f
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more changes to USER-MISC
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2021-01-21 15:44:08 -07:00 |
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5a51c74b9d
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vtally change to fix smd
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2021-01-21 15:41:06 -07:00 |
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54e3ee74a2
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changes to USER-MISC package
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2021-01-21 15:37:18 -07:00 |
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