Commit Graph

90 Commits

Author SHA1 Message Date
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
cbc01e5758 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9740 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-03 16:57:24 +00:00