71582c99ca
rearrange pointer variables to a more logical location, quell compiler warning and initialize all pointer
2020-03-18 22:51:16 -04:00
842fe150eb
update coul/slater docs to align with recent changes in upstream
2020-03-18 21:07:57 -04:00
7ee63a0025
small spelling update
2020-03-18 21:02:40 -04:00
2714fad178
Merge branch 'master' into collected-small-changes
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# Conflicts:
# doc/src/Build_development.rst
2020-03-18 20:59:16 -04:00
164bf1b60e
Merge pull request #1883 from evoyiatzis/master
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Coulomb pair style with smeared out charges (coul/slater)
2020-03-18 20:52:47 -04:00
2b39c9968f
Merge pull request #1913 from jrgissing/molecule_template_moleculeIDs
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Molecule template: molecule-IDs and fragments
2020-03-18 20:31:29 -04:00
3e36acc533
Merge branch 'master' into restart-consistency
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# Conflicts:
# doc/src/fix_halt.rst
2020-03-18 20:30:00 -04:00
a569027a14
trip some excess padding to make the pages waste less space on small screens
2020-03-18 20:25:26 -04:00
d1388b4ea8
Merge pull request #1941 from e-kwsm/typo
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Fix typos in comments and output.
2020-03-18 20:24:06 -04:00
9fa4d27bdd
Merge commit 'refs/pull/1948/head' of github.com:lammps/lammps into collected-small-changes
2020-03-18 19:02:33 -04:00
572eeae549
Move LAMMPS version string to side bar
2020-03-18 18:09:55 -04:00
7824b3f4ab
small html theme tweaks to unclutter top of page. move version string to navigation bar
2020-03-18 17:52:19 -04:00
b6ce32f651
step version string for next patch release
2020-03-18 17:18:46 -04:00
2cefddb16c
avoid spelling errors
2020-03-18 17:16:47 -04:00
b903cc6dc7
remove excessive details about how to compile with cmake. refer to cmake docs.
2020-03-18 17:12:36 -04:00
c28b9f100c
remove unused and broken function
2020-03-18 15:38:29 -04:00
460dd662e4
next chunk of converted atc doc files
2020-03-18 11:39:53 -04:00
ca1e1e2dff
Convert British spelling to American
2020-03-18 23:09:23 +09:00
6054f29933
update false positives
2020-03-18 07:03:32 -04:00
1db2538239
use "command" instead of "cmd"
2020-03-18 07:02:49 -04:00
280d5cc6ae
replace "xxxn't" with "xxx not"
2020-03-18 07:02:34 -04:00
38b1bf9ba5
add links to ctypes, ipython, and jupyter
2020-03-18 07:01:06 -04:00
f1679cd58c
update false positives
2020-03-18 06:37:51 -04:00
5992bd24e7
some more converted atc fix_modify docs
2020-03-18 06:29:17 -04:00
d7cade9d46
Merge branch 'master' into molecule_template_moleculeIDs
2020-03-17 23:08:00 -06:00
5109b7f1b1
correct incorrect spelling correction
2020-03-17 20:45:52 -04:00
9ebd1e4572
convert british spelling to american
2020-03-17 20:41:49 -04:00
0e764a3a48
correct spelling correction
2020-03-17 20:37:33 -04:00
7f53cbc1a0
fix grammar issue
2020-03-17 20:33:37 -04:00
e000c46c8c
correct spelling
2020-03-17 20:29:18 -04:00
da0acd2790
update spelling false positives
2020-03-17 19:28:30 -04:00
4a5125f450
make behavior of CMAKE_TUNE_FLAGS more consistent and allow to turn it off
2020-03-17 19:16:02 -04:00
c1268bd1ec
remove dead code
2020-03-17 18:55:05 -04:00
1d8e9ca014
include gcc sanitizer libraries
2020-03-17 18:53:28 -04:00
66f730b895
setting const on return value has no effect
2020-03-17 18:53:10 -04:00
dae2bce6b0
we can use error->all() and also check the coordinate conversion for valid data
2020-03-17 16:53:22 -04:00
a7d2847140
parse image flags only for valid numbers and requize imz == 0 for 2d-systems
2020-03-17 16:43:34 -04:00
6f6855e831
do not advertise multiple targets in cmbuild wrapper
2020-03-17 15:57:33 -04:00
f893f4f8c7
set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden
2020-03-17 14:48:20 -04:00
5779731da3
provide cmbuild wrapper script for cmake. document it and add some improvements to CMake build docs
2020-03-17 13:04:38 -04:00
2c282b693e
flag two more subroutines can trigger the variable tracking message and slow down compilation
2020-03-17 12:33:23 -04:00
b692da3b01
include building tools in "most" preset
2020-03-17 00:57:30 -04:00
3d66167f64
Merge pull request #1940 from junghans/fix_external_project_ninja
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cmake: handle download with ninja thanks to requiring cmake version 3.10.
Also enable building Fortran targets with ninja-build version 1.10 and later/
2020-03-17 00:36:56 -04:00
4cdb904e54
next chunk of converted html files
2020-03-16 07:34:56 -04:00
0b293080c9
MSCG.cmake: fix build (hopefully)
2020-03-15 19:51:04 -06:00
c0b39e654f
make MSCG library build compatible with using ninja
2020-03-15 19:07:26 -04:00
a4335904b6
need to recheck for MPI after enabling fortran to have MPI_Fortran_LIBRARIES set
2020-03-15 18:37:39 -04:00
d25b73f76d
also report fortran MPI libs, if configured
2020-03-15 18:36:57 -04:00
0b6ab1d15a
need to forward some (more) cmake settings to external projects. simplify KIM handling of fortran support.
2020-03-15 17:47:30 -04:00
f536451968
cmake: add generator to summary
2020-03-15 13:46:11 -06:00
