c49310721c
Hide secret styles
2020-03-27 17:23:09 -04:00
758c812306
Allow query of available styles from lib interface
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Adds the following new library functions:
- lammps_has_style()
- lammps_style_count()
- lammps_stlye_name()
The Info class now also has the following member functions:
- Info::has_style()
- Info::get_available_styles()
2020-03-26 22:45:18 -04:00
5e983b899a
remove unused variable
2019-12-11 08:34:56 -05:00
876032b762
refactor MPI library info query so it can be added to -help flag output
2019-12-11 05:33:16 -05:00
6580700943
print C++ standard in use message with help page and "info config" command
2019-10-03 17:21:20 +02:00
d82ae64d16
minor tweak for consistency
2019-08-03 11:16:55 -04:00
2a74832a1e
protect MPI library version detection from incompatible MPI libraries
2019-08-01 07:04:24 -04:00
2d93a713e2
Merge branch 'master' into collected-small-changes
2019-07-30 14:14:11 -04:00
2e6850835f
Merge pull request #1542 from akohlmey/improve-include-consistency
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Improve Consistency of Include Statements (mostly complete)
2019-07-29 20:12:41 -04:00
94126e5424
use MPI_Get_library_version() API to provide a more detailed version info, not just the MPI standard level
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very chatty output (e.g. from MPICH) is truncated to the next line after 80 characters.
2019-07-26 15:44:10 -04:00
c098582df8
refactor communication cutoff estimator. move it to Comm class. and adjust heuristics.
2019-07-24 17:27:35 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
72b295d7f4
add support for internal style variables to info command
2019-06-10 18:21:17 -04:00
dbbf198edb
more accurate matching of styles using utils::strmatch()
2019-04-04 17:10:27 -04:00
c5a3b034ce
implement various suggestions to improve the use of git information gathered
2019-03-05 17:29:34 -05:00
1e573bd557
when compiling LAMMPS in a git checkout, embed and print git branch and revision info into the executable
2019-03-05 08:35:53 -05:00
528e6632ed
OpenMP doesn't use "version #.#" with their specs, but just OpenMP #.#
2019-02-13 10:41:43 -05:00
d6200fde93
add one more OpenMP version string
2019-02-12 12:17:36 -05:00
82187eaac3
fix stupid typo
2019-02-12 11:34:26 -05:00
36ad48b259
add OpenMP version detection and info output
2019-02-12 11:28:52 -05:00
f28ab59695
output bounding box info for regions, if present
2019-01-31 18:12:56 -05:00
875f7776c6
small whitespace adjustment
2018-12-14 15:28:31 -05:00
94a4b59961
place queries for OS and compiler into functions in Info and use them for both, the info command and lmp -h/-help
2018-12-14 14:22:13 -05:00
4a5e28af81
Avoid unnecessary sorting in print_columns
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std::map is a sorted associative container. We don't need to
first copy it into a vector and sort that one.
print_columns has been refactored as a template function and
makes use of this property.
2018-09-05 10:35:47 -04:00
19f81e0802
Add library functions for accessing LAMMPS configuration
2018-06-25 23:56:18 -04:00
92f0f19df6
make info config output of compile time defines consistent with lmp_<machine> -h
2018-06-22 07:26:33 -04:00
80cca7c4c1
make has_XXX_support functions static, so they can be called without having to create an instance of Info, which requires a fully instantiation of the LAMMPS and Pointers classes
2018-06-22 06:57:05 -04:00
e8e1349da4
make the list of installed packages a static const class member of the LAMMPS class
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through this change, the list of packages becomes accessible for the
library interface and the python wrapper, e.g. to check whether a
prerequisite packages is installed (simpler/faster for quick highlevel
check than having to try instantiating a specific style).
2018-06-21 19:07:16 -04:00
e3a528a493
report compile time options (-DLAMMPS_XXX) in help output and info config
2018-06-20 17:23:37 -04:00
0015b15b18
revert <cstdint> back to <stdint.h> as the former seems to require C++-11
2018-04-27 18:25:30 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
91107cc1f3
add a "coeffs" keyword to the info command for debugging "All XXX coeffs are not set" errors.
2018-01-09 12:47:33 -05:00
81e7d4a942
fix incorrect preprocessor define for windows
2017-08-12 00:35:50 -04:00
c2c6dc1458
remove spurious comment line
2017-06-23 16:24:37 -04:00
070ce33a13
improve memory usage reporting in info and output class
2017-03-16 18:35:04 -04:00
c5513c4f75
provide an accessor for names of LAMMPS variables
2016-10-17 19:56:18 -04:00
0f6d21acda
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15576 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-14 15:27:51 +00:00
b190abea39
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
c95ec24d1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-28 13:51:40 +00:00
a2782baa64
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15324 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-15 22:47:23 +00:00
15068b6354
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-02 14:08:20 +00:00
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
f70a764d5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 15:55:54 +00:00
490b26ed06
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14630 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 22:27:37 +00:00
70aa37e4c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:26:57 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
cee848f948
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:06:49 +00:00
9a878cdd67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
