|
|
5d3f10611a
|
Adjust Python deprecation notice
|
2020-10-15 18:25:58 -04:00 |
|
|
|
99f9a16a25
|
Update Python docs
|
2020-10-15 18:19:57 -04:00 |
|
|
|
4a946f5388
|
rename sections to User Guide and Programmer Guide
|
2020-10-15 12:00:36 -04:00 |
|
|
|
f15dc4a0a8
|
add more details and derived class to the class diagram and use a different layout engine
|
2020-10-15 12:00:10 -04:00 |
|
|
|
bc16709150
|
tweak
|
2020-10-14 23:59:06 -04:00 |
|
|
|
dc8e6bc5ab
|
mention example using the new Fortran module in examples/COUPLE/simple
|
2020-10-14 23:29:03 -04:00 |
|
|
|
88644caaec
|
update header texts
|
2020-10-14 23:28:28 -04:00 |
|
|
|
937f8b3f61
|
reorder sections in developer guide
|
2020-10-14 22:57:41 -04:00 |
|
|
|
d41cce7660
|
update LAMMPS class diagram
|
2020-10-14 22:57:21 -04:00 |
|
|
|
3926cbe5f0
|
Merge branch 'patch-3' of github.com:evoyiatzis/lammps into collected-small-changes
|
2020-10-14 15:18:03 -04:00 |
|
|
|
d322e29f64
|
mention that C++11 also needs to be enabled with Ubuntu 16.04
|
2020-10-14 14:30:03 -04:00 |
|
|
|
45939602a5
|
Update fix_widom.rst
the shake keyword is not applicable to widom insertions
|
2020-10-14 20:17:35 +02:00 |
|
|
|
18091f15e0
|
Merge branch 'master' into collected-small-changes
|
2020-10-14 13:11:30 -04:00 |
|
|
|
bb6cfbeec1
|
mention AMD GPUs
|
2020-10-14 08:04:37 -04:00 |
|
|
|
00e1edfae9
|
add a preset for selecting gcc compilers (for cases where they are not the default)
|
2020-10-14 04:51:34 -04:00 |
|
|
|
60a296fea8
|
small tweaks
|
2020-10-12 23:51:00 -04:00 |
|
|
|
49afab09a5
|
Building LAMMPS for Windows with the MinGW cross compiler is supported with CMake only
|
2020-10-12 23:49:40 -04:00 |
|
|
|
61381ad821
|
Use User's Guide and Programmer's Guide. Normalize header level formatting
|
2020-10-12 23:31:03 -04:00 |
|
|
|
414cf024cd
|
Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic
|
2020-10-12 11:45:57 -06:00 |
|
|
|
d0cf52fafd
|
fix typos
|
2020-10-12 00:03:18 -04:00 |
|
|
|
d5e6bd3cdc
|
document the changed behavior read_data with respect to non-zero image flags for non-periodic directions
|
2020-10-11 23:17:18 -04:00 |
|
|
|
bdb4334210
|
add tip about using history as starting point for a new input
|
2020-10-11 16:13:13 -04:00 |
|
|
|
ee98ecc7bb
|
document save_history command and a few more small tweaks
|
2020-10-11 15:47:38 -04:00 |
|
|
|
9950f0d259
|
small LAMMPS shell updates
- implement a "source" command (same as "include")
- synchronize documentation in manual and README
- updates to readline customizations
|
2020-10-11 13:53:15 -04:00 |
|
|
|
44549ba81d
|
replace doc page with page or other appropriate text
|
2020-10-11 12:19:38 -04:00 |
|
|
|
4908a53612
|
correct example to include '=on' for package selection with CMake
|
2020-10-11 12:19:21 -04:00 |
|
|
|
3396897438
|
document both, CMake and traditional procedure to enable MPIIO
|
2020-10-11 12:18:26 -04:00 |
|
|
|
f63ff4cdc9
|
LAMMPS shell customization info and some usage tips
|
2020-10-11 12:00:16 -04:00 |
|
|
|
c0f58243cb
|
use correct header levels for LAMMPS shell docs
|
2020-10-10 23:40:34 -04:00 |
|
|
|
51489c1509
|
dedup anchor
|
2020-10-09 17:29:31 -04:00 |
|
|
|
d0981db66a
|
Minor edits
|
2020-10-09 13:51:35 -06:00 |
|
|
|
58e27a9c51
|
More edits and documentation
|
2020-10-09 13:50:20 -06:00 |
|
|
|
dc86c37e23
|
Minor updates and documentation
|
2020-10-09 11:38:18 -06:00 |
|
|
|
078f931393
|
add comment to explain using the LAMMPS_LIB_MPI define in example
|
2020-10-09 11:50:53 -04:00 |
|
|
|
c85498e98b
|
started to add spin/kk to the doc
modified validaion tests for kokkos compatibility
|
2020-10-09 09:47:47 -06:00 |
|
|
|
ca3d10fa39
|
need to define LAMMPS_LIB_MPI
|
2020-10-09 07:37:25 -04:00 |
|
|
|
188e1c3828
|
correct versionadded dates
|
2020-10-09 07:22:16 -04:00 |
|
|
|
38bf231361
|
silence sphinx warning
|
2020-10-09 07:19:02 -04:00 |
|
|
|
6d67fa004c
|
tweak formulation
|
2020-10-08 23:35:49 -04:00 |
|
|
|
5c6bfa6ab5
|
Merge branch 'master' into progguide-axel
|
2020-10-08 21:51:22 -04:00 |
|
|
|
a581b4b85e
|
Merge pull request #2412 from lammps/progguide-updates
Updates to the Programmer Guide part of the Manual
|
2020-10-08 21:50:37 -04:00 |
|
|
|
4f4bc427ae
|
implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
|
2020-10-08 21:50:15 -04:00 |
|
|
|
9f0002550e
|
Merge pull request #2404 from akohlmey/fortran-portable-string
Make f2c_string utility function of the new Fortran module portable across Fortran compilers
|
2020-10-08 20:58:51 -04:00 |
|
|
|
4a856148ad
|
Merge pull request #2389 from kateryna-goloviznina/coul_tt
Pair style for charge-dipole damping with Tang-Toennies function
|
2020-10-08 19:47:36 -04:00 |
|
|
|
677e8afdc5
|
update section headlines
|
2020-10-08 10:32:02 -04:00 |
|
|
|
a89741f7f6
|
more 'doc page' to 'page' changes
|
2020-10-08 08:32:15 -04:00 |
|
|
|
fdbcd202fa
|
Consolidate the redundant instructions for building the manual into one location.
|
2020-10-08 08:31:58 -04:00 |
|
|
|
60864f021f
|
replace "doc page" with "page" or equivalent
|
2020-10-07 22:29:26 -04:00 |
|
|
|
e683585bba
|
reformat reax/c control file parameter descriptions
|
2020-10-07 22:28:34 -04:00 |
|
|
|
353158f7e7
|
improve errors vs. exception not
|
2020-10-07 21:56:14 -04:00 |
|
