cae994dea9
fix whitespace issues
2020-01-14 13:24:40 -05:00
628dc6dd2a
sync with master
2020-01-14 10:40:05 -07:00
07e58fd681
document latest fix hyper/local diagnostics
2020-01-14 10:36:19 -07:00
f16486b23e
stats bug when straight MD + quench
2019-10-07 09:03:36 -06:00
02e6ce32ea
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
207976f4e9
avoid abort when timeout appears in temper commands
2019-08-01 06:11:05 -04:00
75c1e28566
fix typo
2019-07-31 23:28:57 -04:00
58404946db
add timer timeout support to temper commands
2019-07-31 23:26:13 -04:00
4011f6650d
first step of adding timeout support to temper commands
2019-07-31 05:05:17 -04:00
0fa9cd5004
use utils::strmatch to simplify checks for compatible thermostat/barostat fixes
2019-07-31 05:03:59 -04:00
a50d57bceb
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/utils.cpp
2019-07-19 17:57:58 -04:00
8526e7a4cd
checking return value of ?scanf() calls to detect problems parsing files
2019-07-19 11:14:39 -04:00
13d4fbdcfb
clean up includes in QEQ, REPLICA, and RIGID packages
2019-07-07 16:27:59 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
171d74f2f2
remove class member name clashes. Pointers contains infile so we rename other uses to inpfile
2019-06-23 16:43:54 -04:00
08471684f3
upgrades to global and local hyper, including more output
2019-06-18 12:29:46 -06:00
4003387fb1
dead code removal
2019-04-04 16:51:59 -04:00
26b90727b3
whitespace cleanup
2019-03-26 13:26:09 -04:00
ac20d1ab41
fix corner-case issue with hyper communication, also timer
2019-03-18 09:52:16 -06:00
a3c936d283
bug fixes for new local hyperdynamics reduced comm
2019-03-14 15:13:02 -06:00
f0ec2e3279
refactoring of global and local hyper, including amended doc pages
2019-03-01 18:47:34 -07:00
eea30c5b76
half-bond lists and no bond migration for local hyper
2019-02-26 16:17:31 -07:00
eaf2ca9c84
Merge pull request #1272 from lammps/utility-functions
...
Add library of utility functions to make LAMMPS code simpler and more consistent.
This is the first part of multiple pull requests that will add some more of these functions and will apply them to more of LAMMPS.
2019-02-13 16:30:46 +01:00
37821f4fa4
more specific style matching for kspace
2019-02-01 12:23:06 +01:00
5c927d484e
add missing atom->delete_callback()
2019-01-31 19:09:59 -05:00
2e70541134
consistent formatting: replace '}else' with '} else'
2018-12-29 14:50:26 -05:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -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
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
380f0e4971
remove some debugging code
2018-11-13 08:06:40 -07:00
b776f0f29f
remove dead code and silence warnings about unused parameters
2018-11-12 21:11:55 -05:00
443644025f
silence compiler warnings
2018-11-12 20:50:14 -05:00
c4c90a96ec
avoid void return from non-void function
2018-11-12 20:49:01 -05:00
5cb2463204
c++ style include files do not have a .h extension
2018-11-12 20:33:30 -05:00
0ca02b6f41
added new commands to doc pages, fixed a few missing entries as well
2018-11-12 17:23:15 -07:00
fe07ad279d
added NULL declations to constructor, removed debug code
2018-11-12 12:32:54 -07:00
3b7ebbb8df
new hyper examples
2018-11-12 12:32:53 -07:00
fbd610b8a9
global/local hyperdynamics src and doc files
2018-11-12 12:32:52 -07:00
84657f1531
final pass at sprintf() buffer overflow prevention. also fix typo in previous commit
2018-09-06 12:00:04 -04:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
b7210e931c
more cosmetic changes to silence pedantic warnings
2018-05-04 22:34:20 -04:00
b61834f28d
replace variable length array with fixed size
2018-05-04 16:34:46 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5221ac2d55
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
6dff29bb9c
remove files that were added in error last summer by a pull request
2018-03-28 13:52:07 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
94a923191a
more whitespace cleanup
2018-03-15 22:02:02 -04:00
