e8e1349da4
make the list of installed packages a static const class member of the LAMMPS class
...
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
9f3cb83fb3
use a list instead of a string to store the names of installed packages
2018-06-20 17:57:17 -04:00
9f3fae1c47
record 3d-FFT array packaging algorithm
2018-06-20 17:23:37 -04:00
7f0c88c74b
refactor the gathering of compile time settings after discussion with @sjplimp
...
- remove feature to record the compilation time and date
- remove 'echo -n' based "progress bar"
- update output format for "lmp_machine -h" to be consistent with help output
- move generation of lmpinstalledpkgs.h to be a separate target depending on
all sources and headers in src folder. this way it is only regenerated
when files are modified or packages installed
2018-06-20 17:23:37 -04:00
1f770a6a8f
print information about serial/parallel and MPI version for known libraries
2018-06-20 17:23:37 -04:00
4265e68ff8
record installed packages
2018-06-20 17:23:37 -04:00
90f0586c9e
include compilation date as an example for embedding info, that is not a define
2018-06-20 17:23:37 -04:00
c371ce1005
include date when LAMMPS was compiled
2018-06-20 17:23:37 -04:00
e3a528a493
report compile time options (-DLAMMPS_XXX) in help output and info config
2018-06-20 17:23:37 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
2d8bce78a6
Refactor PYTHON package and wrapper classes
2017-04-11 21:22:30 -04:00
bfc478c320
simpler variant of the segfault workaround, that does not offend Clang c++.
2016-11-10 14:12:02 -05:00
2b75ee761d
avoid segmentation fault, when creating a LAMMPS instance from the library interface. arg[] may be NULL.
2016-11-10 13:28:32 -05:00
21694ca3a8
improve help and it through a pager, when screen == stdout
2016-11-07 17:10:12 -05:00
9b910d5511
make name of the actual executable (i.e. arg[0]) accessible
2016-11-07 17:07:40 -05:00
2c8a7a318a
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
2016-10-13 16:55:53 -06:00
647ffab74f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-23 22:45:54 +00:00
fdab2d6cb0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15156 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 15:41:00 +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
5b94aa3ae8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15079 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:08:29 +00:00
042f50ac9c
Christian's kokkos patch that allows concurrent host and device threading
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-18 14:50:28 +00:00
daaadcdd86
Adding Kokkos output and error checks
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-29 17:24:04 +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
ef82677cb2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:51:09 +00:00
fa6ad89b99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 15:20:06 +00:00
9effcca0df
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-11 14:49:37 +00:00
31318401b6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-31 13:32:05 +00:00
6b854b397c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:41:05 +00:00
5288406600
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13623 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-16 22:41:28 +00:00
94cd2118c7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12994 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-27 23:55:36 +00:00
90d0ffba1d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-10 22:46:53 +00:00
7f8da4e667
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-10 22:16:50 +00:00
58a11d6bc2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-10 19:39:31 +00:00
7728d4ecea
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-10 16:40:17 +00:00
4374200a77
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 22:30:16 +00:00
b843c808a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 19:23:31 +00:00
e3879a1048
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-15 15:35:51 +00:00
10dfed77c9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12316 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 20:07:39 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
75a456247d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-14 21:25:49 +00:00
9ed1090111
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12064 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-04 15:34:48 +00:00
6c06a66ae7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 15:23:13 +00:00
0916861315
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:46:49 +00:00
5bdd5c3c25
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-12 16:37:16 +00:00
4cb42cb26b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 00:59:21 +00:00
b28ce4b3bb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 00:34:30 +00:00
0064c5bcce
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11521 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-11 00:09:44 +00:00
127eb167c1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-22 17:44:32 +00:00
