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f2ba37e35d
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try swithing the current working directory when dropped into a Windows system folder.
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2020-10-16 10:47:23 -04:00 |
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865b159d16
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update singularity definitions for readline 6/7 to have a pkg-config file
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2020-10-14 15:06:57 -04:00 |
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65eb4b5527
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explicitly enable C++11 and use pkg-config to get readline flags
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2020-10-14 14:33:12 -04:00 |
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290763a844
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add a test_mode where the isatty() check is bypassed and history not read
this is enabled when the LAMMPS_SHELL_TESTING environment variable is set
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2020-10-13 17:09:11 -04:00 |
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114dd48779
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change behavior with respect to OpenMP versus the regular LAMMPS executable
since the shell is not meant to be run with MPI we can use all threads by default.
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2020-10-13 17:08:23 -04:00 |
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ee98ecc7bb
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document save_history command and a few more small tweaks
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2020-10-11 15:47:38 -04:00 |
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556d48f1dc
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implement a "save_history" command into the LAMMPS shell
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2020-10-11 15:30:56 -04:00 |
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f6683fefea
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avoid segfault on the last word of the command history
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2020-10-11 14:05:37 -04:00 |
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9950f0d259
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small LAMMPS shell updates
- implement a "source" command (same as "include")
- synchronize documentation in manual and README
- updates to readline customizations
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2020-10-11 13:53:15 -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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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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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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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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15f9987c32
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add custom commands "cd" and "pwd" to the LAMMPS shell
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2020-10-06 18:39:22 -04:00 |
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fb1dab6098
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Merge branch 'master' into collected-small-fixes
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2020-10-06 18:00:33 -04:00 |
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113db3ac73
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fold group specific query functions into the more generic ID query functions
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2020-10-05 13:41:12 -04:00 |
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68cca6d31a
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make warning about lack of exception handling more specific
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2020-10-05 12:51:42 -04:00 |
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d500ffa784
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implement handler for CTRL-C on windows.
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2020-10-04 16:42:29 -04:00 |
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f3b33ea0c6
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address spelling issues
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2020-10-04 14:10:35 -04:00 |
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ffcd905bf1
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complete LAMMPS shell docs interation. Warn if exceptions are missing but don't fail
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2020-10-04 14:03:34 -04:00 |
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e360219a8a
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add readme and makefile for LAMMPS shell
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2020-10-04 12:28:01 -04:00 |
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cc14bae240
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add LAMMPS shell to README
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2020-10-04 12:22:37 -04:00 |
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ecb5078ba7
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add signal handler to smoothly interrupt ongoing runs. non-windows only.
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2020-10-04 11:25:37 -04:00 |
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f1ed6a9782
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change word break characters to make direct variable expansion completion work
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2020-10-04 11:25:05 -04:00 |
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2eb07f7427
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add expansions of IDs and references to IDs
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2020-10-04 06:02:14 -04:00 |
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c08089c1a7
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add missing pkg-config file for readline
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2020-10-03 22:35:58 -04:00 |
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4520eef1b0
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include readline support to be ready for LAMMPS-Shell
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2020-10-03 22:05:52 -04:00 |
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c5514c0a36
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windows portability fix
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2020-10-03 22:02:13 -04:00 |
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acf53ff55e
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add a few more context aware matcher functions
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2020-10-03 12:26:40 -04:00 |
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b231fa8a16
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add completion for force style names
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2020-10-03 11:32:56 -04:00 |
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22cbac0b01
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initial version of LAMMPS shell. without build system support (yet).
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2020-10-03 09:49:35 -04:00 |
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a9b27caf17
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Merge branch 'master' into progguide-axel
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2020-09-30 19:57:20 -04:00 |
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0ed935ab76
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silence compiler warning on windows
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2020-09-29 11:19:12 -04:00 |
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b11b420b08
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small doc update for singularity
|
2020-09-26 22:30:05 -04:00 |
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08270c3498
|
update container descriptions
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2020-09-24 02:17:26 -04:00 |
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b878403aee
|
update a few more singularity container definitions for doc build requirements
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2020-09-22 06:01:34 -04:00 |
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1eebdcbd03
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fix obvious bugs
|
2020-09-22 05:34:29 -04:00 |
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b876f451f8
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make compiler choice overridable
|
2020-09-22 05:34:12 -04:00 |
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dfd447f570
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Add missing tools for PDF index build to containers
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2020-09-19 23:07:24 -04:00 |
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6a40eba2ae
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Add Ubuntu 20.04 Intel OpenCL container
|
2020-09-04 15:03:53 -04:00 |
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da0e60c173
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Apply changes to remaining containers
|
2020-09-04 14:43:03 -04:00 |
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f6abdf97c4
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Remove -j in distribution container files
|
2020-09-04 14:28:03 -04:00 |
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41a1c96e06
|
Update other GPU containers
|
2020-09-04 14:19:41 -04:00 |
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3bdfbdcf09
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Update Ubuntu 18.04 GPU container and add Ubuntu 20.04
|
2020-09-04 14:06:38 -04:00 |
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60d25c2eea
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Update Ubuntu 20.04 container
|
2020-09-04 11:54:08 -04:00 |
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598819229b
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Fix missing OpenKIM models for testing due to KIM-API packaging
|
2020-09-04 11:47:38 -04:00 |
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64d3be27a6
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Add zstd to containers
|
2020-09-04 11:46:40 -04:00 |
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7ea4177626
|
Set Plumed version to 2.6.1
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2020-09-04 11:41:44 -04:00 |
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f541647d44
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some more IWYU tweaks
|
2020-09-04 09:23:20 -04:00 |
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e8e57b0628
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remove doxygen tool folder and references to it in the input as it is no longer compatible and needed
|
2020-08-30 19:59:52 -04:00 |
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