fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
96f59a58d3
be a little more paranoid about avoiding memory leakage
2021-04-09 21:53:18 -04:00
7a2910f05f
must have num == 2 for getenv style variables
2021-04-09 21:44:34 -04:00
a69c5a5cae
fix bugs in shell putenv and getenv style variables. add more unit tests.
2021-04-09 20:19:04 -04:00
2dfafe4adb
add is_file() special variable function and unit tests for it
2021-04-02 12:07:43 -04:00
20e6174e59
cannot use tokenizer for parse_args() as the search for commata must be away of parenthesis
2021-03-29 21:11:07 -04:00
67f1f12c20
more tests for expressions
2021-03-23 21:42:45 -04:00
85d1257222
move redundant enumerator to Variable class definition in variable.h
2021-03-23 21:41:50 -04:00
4f46ee30a2
avoid crash when functions expecting an argument are used without
2021-03-23 18:13:01 -04:00
346c36e227
replace redundant functions to handle constants with (unordered) map
2021-03-23 17:48:47 -04:00
014f9ad527
simplify Variable::parse_args() by using Tokenizer class
2021-03-23 16:47:04 -04:00
3d67d1eee9
simplify
2021-03-16 00:50:29 -04:00
194a551590
complete refactor of file/atomfile variable parsing code
2021-03-14 10:45:07 -04:00
11386097c6
avoid strtok() when reading variables from file
2021-03-13 21:00:09 -05:00
5036adeff0
timestep processing functions must use bigint instead of int
2021-02-05 19:23:05 -05:00
24bf1e5b0c
make use of utils::strdup()
2021-02-04 17:33:02 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f0f933a711
allow forward slash in strings for if statements
2020-10-06 18:44:26 -04:00
8c56f60939
use bigint instead of int for timestep related variable functions to avoid overflows
2020-10-01 09:35:45 -04:00
b350dce573
improve error messages for variables and python commands
2020-09-23 19:02:55 -04:00
4c51a8ae57
move version and num_ver from Universe to LAMMPS and make num_ver an int
2020-09-19 11:37:08 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
9925122cea
more IWYU updates
2020-09-03 00:22:09 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
67a9856e0c
silence compiler warning when converting MAXBIGINT to a double
2020-08-04 19:07:53 -04:00
5b4275002c
Merge branch 'master' into kim_fix
2020-07-20 20:27:41 -04:00
65f9c1abf5
bugfix: reorder instructions
2020-07-17 14:00:16 -04:00
b3bd36947d
add convenience function to allow variable->set() command with a single string argument
2020-07-17 13:57:54 -04:00
2fb6a61f2a
refactor code to make better use of std::string and simplify using changes to Variable class API
2020-07-17 01:23:17 -04:00
63bebf58fd
add convenience function to allow variable->set() command with a single string argument
2020-07-17 00:46:31 -04:00
dd7bc1d34e
use const char * instead of char * so we don't need a cast for string constants
2020-07-17 00:45:58 -04:00
0af7fbe98e
use const char * instead of char * so we don't need a cast for string constants
2020-07-17 00:34:23 -04:00
c37b5e50b1
flag error when trying to compute an average of an empty vector
2020-07-03 22:35:53 -04:00
307f54611f
use doubles to avoid multiple integer overflows in slope() function
2020-07-02 16:43:00 -04:00
91502b8bf6
more simplification
2020-06-26 16:22:19 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
dd11fb3964
remove .c_str() and simplify output in several places
2020-06-03 16:37:30 -04:00
23c55b0046
fix "use of class after delete" bug
2020-05-11 16:23:04 -04:00
1192845ad5
avoid segmentation faults in universe/uloop variable increment
2020-03-25 08:19:24 -04:00
21f3f51ea2
better error messages on accessing invalid IDs in variable expressions
2019-08-05 23:17:38 -04:00
a50d57bceb
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/utils.cpp
2019-07-19 17:57:58 -04:00
e72aef2a96
more sscanf() return value checking
2019-07-19 12:01:16 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
42c31227d9
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
17602b4c26
some more include file cleanup.
...
include cstdlib where functions like atoi() are used
remove unneeded include statements from headers
2019-06-27 01:02:17 -04:00
