|
|
a19e8fb269
|
Merge branch 'master' into resetids
|
2018-03-30 09:15:24 -06:00 |
|
|
|
81caeffb38
|
Merge pull request #855 from lammps/dumpinc
new dump_modify refresh and compute displace/atom refresh commands fo…
|
2018-03-30 09:07:19 -06:00 |
|
|
|
a4795df5f9
|
complete integration of reset_ids into the documentation build system
|
2018-03-30 10:49:38 -04:00 |
|
|
|
ef8423918a
|
fix typo
|
2018-03-29 17:04:53 -04:00 |
|
|
|
0984e94c04
|
Merge pull request #858 from junghans/fix_return
MathSpecial::fm_exp: fix return value on ppc64
|
2018-03-29 08:11:33 -06:00 |
|
|
|
2a930dac42
|
Merge pull request #856 from akohlmey/fix_srp_bugfix
Bugfix for SRP with triclinic cells
|
2018-03-29 08:10:55 -06:00 |
|
|
|
09313cf3b5
|
shift files into doc/src
|
2018-03-28 13:35:13 -06:00 |
|
|
|
6dff29bb9c
|
remove files that were added in error last summer by a pull request
|
2018-03-28 13:52:07 -04:00 |
|
|
|
c664f46b31
|
MathSpecial::fm_exp: fix return value on ppc64
|
2018-03-28 11:51:04 -06:00 |
|
|
|
5fd17670b1
|
new reset_ids command and dump_modify delay option
|
2018-03-28 11:31:35 -06:00 |
|
|
|
b37664b44e
|
squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells
|
2018-03-28 10:57:13 -04:00 |
|
|
|
b5b0f67bcd
|
Merge pull request #852 from akohlmey/collected-small-bugfixes-and-updates
Collected small bugfixes and cleanups
|
2018-03-27 15:43:57 -06:00 |
|
|
|
a524d8c193
|
Merge pull request #854 from lammps/readdump
new option *add keep* added to read_dump
|
2018-03-27 14:39:35 -06:00 |
|
|
|
b571f5423a
|
Merge pull request #850 from lammps/addlib
a few new lib interface methods
|
2018-03-27 14:39:16 -06:00 |
|
|
|
2aef3a0e96
|
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
|
2018-03-27 14:37:04 -06:00 |
|
|
|
da9f63210e
|
rephrase error message, remove trailing whitespace
|
2018-03-27 13:59:21 -04:00 |
|
|
|
e8b8428f6b
|
new option *add keep* added to read_dump
|
2018-03-27 10:08:58 -06:00 |
|
|
|
1956d93af9
|
doc tweak on added lib functions
|
2018-03-27 09:58:53 -06:00 |
|
|
|
48509622fe
|
fix bug reported in issue #851
|
2018-03-26 11:51:00 -04:00 |
|
|
|
f38169f19c
|
do not capitalize library.cpp, even if it is at the beginning of a sentence
|
2018-03-23 16:08:40 -04:00 |
|
|
|
24e48760da
|
Merge pull request #845 from akohlmey/dummy-pair-restart-warning
More consistent and transparent handling for force styles with restarts
|
2018-03-23 13:47:43 -06:00 |
|
|
|
b5ee713779
|
Merge pull request #849 from stanmoore1/kk_deprecated
Remove deprecated Kokkos code
|
2018-03-23 13:42:39 -06:00 |
|
|
|
e73663d1de
|
Merge pull request #847 from akohlmey/collected-small-changes
Collected small changes and bugfixes
|
2018-03-23 13:41:22 -06:00 |
|
|
|
5770a59ead
|
Merge pull request #846 from akohlmey/pdf-manual-reorg
Refactor PDF Manual Structure
|
2018-03-23 13:40:35 -06:00 |
|
|
|
db5a6b272b
|
Merge pull request #842 from martok/meamc-bugfix
MEAM/C Improvements/fixes
|
2018-03-23 13:40:14 -06:00 |
|
|
|
318877ada3
|
Merge pull request #839 from oywg11/master
New registry dependent interlayer potential in LAMMPS
|
2018-03-23 13:38:48 -06:00 |
|
|
|
d14c16a47c
|
a few new lib interface methods
|
2018-03-23 13:34:22 -06:00 |
|
|
|
5a341bee09
|
minor cleanup in docs and updated log files for kolmogorov/crespi/full
|
2018-03-23 06:42:04 -04:00 |
|
|
|
78e09e1854
|
refine the code and documentation
|
2018-03-23 13:26:40 +03:00 |
|
|
|
c398eb6b57
|
update kolmogorov-crespi examples
|
2018-03-22 19:42:07 -04:00 |
|
|
|
8de7c449fc
|
refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
|
2018-03-22 19:31:41 -04:00 |
|
|
|
04c968362f
|
fix up and integrate documentation for contributed pair styles
|
2018-03-22 18:20:19 -04:00 |
|
|
|
a6d10ba91d
|
Remove deprecated Kokkos code
|
2018-03-22 11:19:17 -06:00 |
|
|
|
b2194d617b
|
update logs for eff and reax
|
2018-03-21 21:26:46 -04:00 |
|
|
|
8bbefb6187
|
more meaningful output for electron units. fix bug in time unit to fs conversion
|
2018-03-21 20:12:14 -04:00 |
|
|
|
07a8e31623
|
update BOP input and log files
|
2018-03-21 19:45:52 -04:00 |
|
|
|
9f785a4f0b
|
detect and error out on unsupported/old bop potential files
|
2018-03-21 19:40:25 -04:00 |
|
|
|
a19f550c1e
|
update the bop potential file and input
|
2018-03-21 19:40:03 -04:00 |
|
|
|
a585871251
|
update logfiles
|
2018-03-21 19:04:06 -04:00 |
|
|
|
ad87b632ef
|
update spc/e data and reax/c input
|
2018-03-21 19:03:02 -04:00 |
|
|
|
57dbad59c0
|
update missing data files and adjust input files for potentials comparison
|
2018-03-21 16:03:21 -04:00 |
|
|
|
96061b854b
|
Merge branch 'compute_chunk_atom_pbc' of https://github.com/poppik/lammps into collected-small-changes
|
2018-03-21 15:34:05 -04:00 |
|
|
|
c58bc6fcba
|
Fixed pbc wrapping in case of spherical bins
|
2018-03-21 21:20:15 +03:00 |
|
|
|
e66c71e1ca
|
fix linker error bug with fftw3 and -DFFT_SINGLE
|
2018-03-21 12:13:09 -04:00 |
|
|
|
1a402d4002
|
refactor headline levels to result in a more structured PDF manual
|
2018-03-20 15:42:13 -04:00 |
|
|
|
69ca8e5503
|
print a message about the restored atom style
|
2018-03-19 18:57:28 -04:00 |
|
|
|
5cdc6097f4
|
abort with an error when a pair style incorrectly advertises a restart ability
|
2018-03-19 18:25:18 -04:00 |
|
|
|
28a922b18b
|
print error message when a pair style was not re-specified after reading a restart
|
2018-03-19 18:05:47 -04:00 |
|
|
|
16054cc327
|
print names of restored force field styles to screen and logfile
|
2018-03-19 18:04:08 -04:00 |
|
|
|
3c94f7d5d1
|
add pointer Force class to temporarily hold the name of the restarted pair style
|
2018-03-19 18:03:13 -04:00 |
|
