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a6df6cf84c
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fix format
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2020-10-11 23:18:03 -04:00 |
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a82c0a58af
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improve error message
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2020-10-11 23:17:46 -04:00 |
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44549ba81d
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replace doc page with page or other appropriate text
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2020-10-11 12:19:38 -04:00 |
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4908a53612
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correct example to include '=on' for package selection with CMake
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2020-10-11 12:19:21 -04:00 |
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3396897438
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document both, CMake and traditional procedure to enable MPIIO
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2020-10-11 12:18:26 -04:00 |
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b3d9f648ef
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Merge pull request #2414 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_9Oct2020
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2020-10-09 20:12:56 -04:00 |
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0460dc3dfb
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Merge pull request #2413 from akohlmey/progguide-updates
More Programmer Guide and Library Interface updates for next release
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2020-10-09 19:30:37 -04:00 |
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51489c1509
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dedup anchor
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2020-10-09 17:29:31 -04:00 |
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97964604c6
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no point in trying a static link of executables
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2020-10-09 13:29:13 -04:00 |
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362fe700a5
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remove static libraries for cross-compiler. not used with .dll version.
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2020-10-09 13:26:52 -04:00 |
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43f2c14c8b
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print warning when reading data files with non-zero image flags for non-periodic boundaries
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2020-10-09 13:24:53 -04:00 |
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57e0e64ffe
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No MPI communicaton after MPI_Finalize() and no MPI_Finalize() unless we are initialized.
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2020-10-09 12:47:13 -04:00 |
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078f931393
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add comment to explain using the LAMMPS_LIB_MPI define in example
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2020-10-09 11:50:53 -04:00 |
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84c9fcf6e9
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add legacy warning to F77 style Fortran wrapper
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2020-10-09 11:15:15 -04:00 |
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74e1d0f8cf
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move Tools compilation script code from CMakeLists.txt to separate Tools.cmake file
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2020-10-09 11:15:00 -04:00 |
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5457accb3d
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make the legacy fortran wrapper work (again)
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2020-10-09 07:52:36 -04:00 |
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ca3d10fa39
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need to define LAMMPS_LIB_MPI
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2020-10-09 07:37:25 -04:00 |
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bafba4235c
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include versionadded tags
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2020-10-09 07:26:01 -04:00 |
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188e1c3828
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correct versionadded dates
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2020-10-09 07:22:16 -04:00 |
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38bf231361
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silence sphinx warning
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2020-10-09 07:19:02 -04:00 |
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471acb2ef8
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add unit tests for added APIs
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2020-10-09 07:16:34 -04:00 |
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7a9b4ef0d4
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include FFTW in MinGW cross-compiler libraries. Make static/dynamic explicit
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2020-10-09 02:27:31 -04:00 |
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eb3992a69a
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enable static linkage for executables when cross-compiling with MinGW
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2020-10-09 02:26:46 -04:00 |
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bfcb78d5d7
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fix bug with string passing
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2020-10-09 01:42:48 -04:00 |
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5a207247b6
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update version strings for next patch release
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2020-10-09 01:12:41 -04:00 |
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6d67fa004c
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tweak formulation
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2020-10-08 23:35:49 -04:00 |
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90d511bc86
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add wrappers for new library functions
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2020-10-08 22:32:33 -04:00 |
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49ebc5ac40
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update versionadded date
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2020-10-08 22:32:08 -04:00 |
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5c6bfa6ab5
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Merge branch 'master' into progguide-axel
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2020-10-08 21:51:22 -04:00 |
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a581b4b85e
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Merge pull request #2412 from lammps/progguide-updates
Updates to the Programmer Guide part of the Manual
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2020-10-08 21:50:37 -04:00 |
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4f4bc427ae
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implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
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2020-10-08 21:50:15 -04:00 |
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9f0002550e
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Merge pull request #2404 from akohlmey/fortran-portable-string
Make f2c_string utility function of the new Fortran module portable across Fortran compilers
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2020-10-08 20:58:51 -04:00 |
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4995ab3264
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Merge pull request #2403 from akohlmey/fortran2-updates
Update of fortran2 interface for recent changes in the C-library interface
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2020-10-08 20:23:44 -04:00 |
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4a856148ad
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Merge pull request #2389 from kateryna-goloviznina/coul_tt
Pair style for charge-dipole damping with Tang-Toennies function
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2020-10-08 19:47:36 -04:00 |
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677e8afdc5
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update section headlines
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2020-10-08 10:32:02 -04:00 |
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a89741f7f6
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more 'doc page' to 'page' changes
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2020-10-08 08:32:15 -04:00 |
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fdbcd202fa
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Consolidate the redundant instructions for building the manual into one location.
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2020-10-08 08:31:58 -04:00 |
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60864f021f
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replace "doc page" with "page" or equivalent
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2020-10-07 22:29:26 -04:00 |
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e683585bba
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reformat reax/c control file parameter descriptions
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2020-10-07 22:28:34 -04:00 |
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353158f7e7
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improve errors vs. exception not
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2020-10-07 21:56:14 -04:00 |
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20e1697dba
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add ":class: note" to admonitions where it was missing for consistent formatting
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2020-10-07 20:24:56 -04:00 |
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08f8e7ed28
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update titles as suggested by steve and move a few entries around
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2020-10-07 20:07:30 -04:00 |
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d48b0ebd7b
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print OS/Compiler info when starting LAMMPS shell
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2020-10-07 18:37:27 -04:00 |
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0891a8ce7d
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better MPI version detection.
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2020-10-07 18:37:09 -04:00 |
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ac6e99ae81
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implement "mem" command into LAMMPS shell to print current and max memory use
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2020-10-07 18:36:43 -04:00 |
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50bfb9142d
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add library API to print OS/Compiler info (for use with LAMMPS shell)
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2020-10-07 18:35:59 -04:00 |
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57cc8d6290
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fix incorrectly formatted "notes"
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2020-10-07 18:35:05 -04:00 |
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1098ca8749
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add some more explanation about exceptions from the library interface perspective
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2020-10-07 13:08:49 -04:00 |
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e637c150ba
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add versionadded tags
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2020-10-07 13:08:25 -04:00 |
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395906b387
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whitespace
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2020-10-07 13:07:57 -04:00 |
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