4a6517fd51
for atom style template only write out the number of types
2020-10-23 21:51:55 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -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
c7c4297cfc
update include handling for commands
2020-09-03 00:51:58 -04:00
18bc389339
print warning, when mixed pair coeffs were set explicitly but are not written in data file
2020-08-04 07:18:48 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
60f078a8f9
fix buffer size and format bugs in atom_vec_tri.cpp
2020-07-12 15:46:56 -04:00
5cef86d7b7
add missing MPI call
2020-07-07 21:37:33 -04:00
8fbc8a7148
make more use of fmtlib and replace fprintf with fputs where possible
2020-07-07 21:34:34 -04:00
e459ee8a58
whitespace fixes
2020-07-07 20:25:59 -04:00
955bff7c4e
add body support, change bonus buf to 1d so can be variable length
2020-07-07 11:34:30 -06:00
7918919d30
enable write_data for atom styles with bonus data
2020-07-06 17:30:45 -06:00
04d7eacc2f
remove .c_str() in several places because it is no longer neede
2020-06-05 16:40:48 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
439eee3b86
get rid of BIGINT_FORMAT and use std::string.replace() to expand time step in data and restart file names
2020-06-04 21:38:00 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
2c0eeeb976
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
0efc3765f8
add warning when writing incomplete data file due to bonus data
2019-02-27 14:57:25 -05:00
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
d8138a5b4c
move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
2018-05-09 18:11:31 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
04bd268745
rename noextra flag to nofix
2018-03-04 09:55:44 -05:00
a323147819
noextra option for write_data
2018-03-03 14:28:35 -07:00
f8daea5f3e
make dihedrals and impropers header output consistent with bonds and angles
2018-02-15 05:13:59 -05:00
d2da49cdf9
modifications to correctly print modified dihedrals, impropers
2018-01-22 23:56:11 -07:00
88812c44fb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 23:31:09 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
f7bc08d83d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-15 21:29:44 +00:00
aeb7fec23a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-02 02:15:39 +00:00
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
3b7123bec2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 22:15:13 +00:00
91360a80a8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 16:43:25 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
3d6ac732ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:45:25 +00:00
0ce16af78b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 22:46:08 +00:00
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
00700346c6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11079 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-12-02 23:49:46 +00:00
c2fd1c17b2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-20 20:44:10 +00:00
3428df4c4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:36:17 +00:00
07071dccd9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-08 15:59:33 +00:00
8492c4149e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9787 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-23 20:35:26 +00:00
d8509b5842
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9772 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-12 22:24:18 +00:00
022e3c1c57
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9753 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-05 14:05:30 +00:00
8ddd160c3c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9748 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-03 19:58:40 +00:00
609226f8d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-03 17:59:23 +00:00
