|
|
2d0d08093b
|
Another attempt to add Lebedeva potential
|
2018-11-28 09:33:44 +01:00 |
|
|
|
d359beb170
|
Merge pull request #1215 from jrgissing/bond/react-doc-corrections,mostly-formatting
Bond/react doc corrections,mostly formatting
|
2018-11-20 10:50:55 -05:00 |
|
|
|
719f719496
|
Merge pull request #1216 from bondrewd/charmm2lammps
make topology parsing in charmm2lammps.pl more tolerant
|
2018-11-20 10:35:52 -05:00 |
|
|
|
421f97e444
|
Merge pull request #1214 from akohlmey/collected-small-changes
Collected small changes and many spelling fixes for next release candidate
|
2018-11-20 10:34:58 -05:00 |
|
|
|
9f960baa4f
|
restore USER-ATM package data files taken from CVS repo
|
2018-11-20 09:17:02 -05:00 |
|
|
|
981f56840e
|
update workflow tips for checking new LAMMPS contributions
|
2018-11-20 00:30:45 -05:00 |
|
|
|
4c021dad37
|
port spell fixes to source code
|
2018-11-20 00:09:11 -05:00 |
|
|
|
4251c70e93
|
update list of false positives for spellchecking
|
2018-11-20 00:08:07 -05:00 |
|
|
|
0bcb1bd301
|
more spelling fixes and occational re-edits
|
2018-11-20 00:06:40 -05:00 |
|
|
|
c6c00ee7ee
|
more spelling fixes
|
2018-11-19 20:46:32 -05:00 |
|
|
|
6f7b052e24
|
update comments and remove commented code
|
2018-11-19 16:38:25 -05:00 |
|
|
|
9b401b6ed0
|
fix topology parsing
|
2018-11-20 06:22:32 +09:00 |
|
|
|
b34dac41c2
|
port documentation spelling fixes to comments or strings in source code.
|
2018-11-19 16:15:24 -05:00 |
|
|
|
13ae678f39
|
more manual spelling fixes
|
2018-11-19 16:13:57 -05:00 |
|
|
|
8a94a32551
|
avoid duplicate label
|
2018-11-19 15:19:23 -05:00 |
|
|
|
b6f0fe4c2d
|
more changes for correct and consistent spelling in the manual
|
2018-11-19 11:47:33 -05:00 |
|
|
|
809bd855b6
|
adjust wording of non-features discussion to be more in-sync with recent developments
|
2018-11-19 11:24:55 -05:00 |
|
|
|
4dc2f9c6c4
|
fix some spelling errors in the manual
|
2018-11-19 11:24:17 -05:00 |
|
|
|
c49c35e41d
|
avoid tuncation error through integer division and promote to use "bigint" instead of "int" to avoid overflows for large systems
|
2018-11-17 06:40:33 -05:00 |
|
|
|
1597e78d5a
|
guarantee initialization of hyperflag
|
2018-11-17 06:39:28 -05:00 |
|
|
|
a7bfb30043
|
update atc/cauchy_born examples with missing files
|
2018-11-16 23:03:47 -05:00 |
|
|
|
1d4e1f1425
|
bond/react:doc corrections
|
2018-11-16 20:47:51 -07:00 |
|
|
|
d7abb8cf4d
|
Revert "bond/react: doc corrections, mostly formatting"
This reverts commit da88305f4d.
|
2018-11-16 20:42:52 -07:00 |
|
|
|
da88305f4d
|
bond/react: doc corrections, mostly formatting
|
2018-11-16 20:41:49 -07:00 |
|
|
|
177a5ddb7a
|
Merge pull request #34 from lammps/master
rebase
|
2018-11-16 20:29:46 -07:00 |
|
|
|
bbcb659158
|
render fix commands in 6 columns instead of 8 so only narrow screens need to scroll horizontally
|
2018-11-16 22:09:07 -05:00 |
|
|
|
dc6054fc2d
|
rename "All commands" headers to "General commands"
|
2018-11-16 22:04:35 -05:00 |
|
|
|
0264edfcec
|
provide example for how to set Tdamp correctly to 100 timesteps for all choices of unit
|
2018-11-16 16:27:47 -05:00 |
|
|
|
a66384cfea
|
update github tutorial/howto for recent changes in the development workflow
|
2018-11-16 16:27:05 -05:00 |
|
|
|
fd4262805d
|
for enabling MPIIO we also need to set -DLMP_MPIIO
|
2018-11-16 15:48:35 -05:00 |
|
|
|
0d72c3769d
|
Merge pull request #1212 from stanmoore1/git_doc
Tweak to github-development-workflow.md
|
2018-11-16 12:44:58 -05:00 |
|
|
|
177733ecdd
|
Merge pull request #1211 from lammps/doc-hyper
change warning to just a note
|
2018-11-16 12:11:54 -05:00 |
|
|
|
0b60bf65d1
|
Merge pull request #1210 from giacomofiorin/colvars-update
Update Colvars library to version 2018-11-16
|
2018-11-16 12:00:41 -05:00 |
|
|
|
c5c26abdd3
|
change warning to just a note
|
2018-11-16 09:26:37 -07:00 |
|
|
|
5974741eea
|
Tweak to github-development-workflow.md
|
2018-11-16 09:26:12 -07:00 |
|
|
|
d8f540a433
|
Merge branch 'master' into colvars-update
|
2018-11-16 11:24:10 -05:00 |
|
|
|
0a96b891ef
|
Merge pull request #1209 from pdebuyl/fix_cmake_h5md
fix cmake build for USER-H5MD
|
2018-11-16 11:22:45 -05:00 |
|
|
|
11de8dafe3
|
Update Colvars library to version 2018-11-16
Fixes several issues with running averages and time correlation function
computations. Details are in:
https://github.com/Colvars/colvars/issues/143
https://github.com/Colvars/colvars/issues/193
https://github.com/Colvars/colvars/pull/194
|
2018-11-16 09:57:07 -05:00 |
|
|
|
2c979e878f
|
fix cmake build for USER-H5MD
The hdf5 includes were needed as well for building the dump.
|
2018-11-16 15:18:58 +01:00 |
|
|
|
cf79751f4f
|
Merge pull request #1207 from akohlmey/next-patch-release
Patch release 15 November 2018
patch_15Nov2018
|
2018-11-15 19:33:52 -05:00 |
|
|
|
e4dee3de17
|
Merge pull request #1206 from akohlmey/collected-small-changes
Collected small changes for next release
|
2018-11-15 17:29:26 -05:00 |
|
|
|
6e225d90fc
|
fix some minor bugs write data file writing and remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
|
|
1fc3b4618c
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
|
|
eae9d27f6d
|
OpenMP support from the compiler is not a requirement for USER-OMP. Without OpenMP, it is like the OPT package but for many more styles, so it is still useful and should be supported.
|
2018-11-15 16:50:56 -05:00 |
|
|
|
db29ec7eee
|
complete workflow document
|
2018-11-15 14:58:02 -05:00 |
|
|
|
090778c42b
|
Merge pull request #1204 from lammps/doc-plumed
Linkage mode improvements and documentation updates for USER-PLUMED package
|
2018-11-15 13:48:58 -05:00 |
|
|
|
db935dba5e
|
Merge pull request #1201 from junghans/cmake_doc
cmake: update internal doc about how cmake finds executables
|
2018-11-15 13:48:17 -05:00 |
|
|
|
e160376365
|
incomplete first draft. committed for checking the markup in github.
|
2018-11-15 12:45:15 -05:00 |
|
|
|
d5f222464b
|
Update README.md
|
2018-11-15 09:48:46 -07:00 |
|
|
|
4d9e2a014b
|
add detailed build instructions and discussion of linkage modes for PLUMED library and USER-PLUMED package
|
2018-11-15 11:35:04 -05:00 |
|
