5582dbc3d3
handle the case of using -pk pair/only on
2022-10-08 10:33:08 -04:00
4998c065da
clang-tidy fixes
2022-09-10 03:18:06 -04:00
4f3f2412fb
replace Input::readtype() with utils::expand_type()
2022-09-05 06:16:18 -04:00
bb45137b1a
small tweaks to support type labels with single and double quotes. add tests
2022-09-03 19:04:24 -04:00
2307436b76
improve flow of control and remove redundant checks
2022-09-03 10:40:17 -04:00
9b41d28947
Merge branch 'develop' into type-labels
...
# Conflicts:
# doc/src/dihedral_coeff.rst
2022-09-01 21:09:04 -04:00
9edb1ee928
improved error messages in input.cpp
2022-08-18 21:14:39 +08:00
ff9c02f053
improved error messages in pair and input.cpp
2022-08-18 21:08:36 +08:00
9beb60c713
improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
2022-08-18 11:22:36 +08:00
eb4ce25f03
finish rolling back multiple maps feature
2022-08-09 11:32:29 -04:00
363b80f85c
begin unfeaturing multiple label maps feature
2022-08-09 01:01:31 -04:00
f9717049b1
Merge branch 'develop' into type-labels
2022-08-08 17:16:50 -04:00
4a747fa40c
Merge branch 'develop' into amoeba
2022-07-13 03:14:39 -04:00
d327a4c512
whitespace
2022-06-30 05:57:52 -04:00
7546955046
optimizations to input class for reading very long lines
2022-06-29 15:10:03 -06:00
929734ce45
Merge remote-tracking branch 'github/develop' into amoeba-ak
...
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
2022-04-28 20:08:18 -04:00
9c46acfd62
fix parallel processing bug with shell mkdir command
2022-04-24 23:23:01 -04:00
f8f2b9542e
sync with current develop
2022-04-18 17:29:23 -06:00
74f2b67b1a
no if statement required before delete[]
2022-04-10 19:55:24 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
e13a70ad2f
Merge branch 'develop' into type-labels
2022-03-23 01:08:35 -04:00
57cf2a735a
add support for '-f' option to shell rm built-in command
2022-03-17 15:17:44 -04:00
9dfb099197
change platform::mkdir() to create entire path like "mkdir -p"
...
update the documentation of the shell command to current state
and specifically explain the difference between built-in and
external commands and correct where built in commands were described
as calling external commands.
2022-03-17 11:34:50 -04:00
7e2fef096f
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
3bc91386a0
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
df02598fc1
convert one more factory template
2022-02-11 18:38:36 -05:00
76c57d54c1
Merge pull request #3102 from akohlmey/mpi-stubs-simplify
...
Porting unit tests to run natively on Windows
2022-01-31 21:37:48 -05:00
33be5ff0b4
allow that the include command may have quoted arguments with variables
2022-01-29 21:04:59 -05:00
17cb137f3e
Merge branch 'master' into OptimizedDynamicalMatrix
2022-01-28 11:08:31 -08:00
06c45fbe68
fix compiler errors
2021-12-20 14:26:22 -07:00
1c38b7633f
generalize and simplify support for accelerated commands with suffixes
2021-12-14 09:06:04 -05:00
a887d880c6
debugged kokkos support to dynamical_matrix command
2021-12-13 14:14:14 -08:00
5ead32f886
more debugging and features
2021-12-10 11:13:06 -07:00
78cc471335
update keywords according to docs
2021-11-20 16:51:57 -05:00
2436893215
Merge branch 'master' into type-labels
2021-11-01 08:33:21 -06:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
e3e82df995
port "embedded" shell commands to use platform functions
2021-10-05 16:36:06 -04:00
ee594a879b
make use of platform::putenv()
2021-10-04 22:39:43 -04:00
67ae6eb7b6
Merge branch 'lammps:master' into type-labels
2021-09-30 09:44:18 -04:00
f641b1c659
final chunk of changes to apply utils::logical()
2021-09-23 07:30:40 -04:00
1ba77e1629
apply utils::logical() in more places
2021-09-21 14:15:02 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
f7bd07b3e6
whitespace
2021-09-18 17:03:03 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
a47df02f79
modernize
2021-09-16 00:54:46 -04:00
36b3ee32a4
simplify
2021-09-15 16:46:33 -04:00
1fdba7280e
small optimization
2021-09-15 15:14:52 -04:00
e1e13a9563
remove extra white space
2021-09-01 12:54:57 -05:00
f4634511fd
minor
2021-09-01 12:34:36 -05:00
b2b807f9b9
initial version of AMOEBA/HIPPO force field files
2021-08-25 13:53:31 -06:00
