c1d61edbcf
Add unit style consistency check to pair_write and bond_write commands.
...
When a new table file is created, a line with DATE: and UNITS: tags is added
When a table is appended to an existing file, the DATE: is printed and the UNITS: tag is checked for consistency
The command aborts with an error, if the units do not match.
2020-06-14 07:56:39 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
cbeba2fa25
add a comment to bond.cpp about per-atom virial and per-atom centroid virial equivalency
2019-10-08 15:41:13 +09:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
03099d6e54
some more include file consistency changes
2019-06-27 17:11:53 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
28e86917a0
Made fix adapt work with bond_harmonic.
2017-04-04 12:35:26 -04:00
683023d820
Adding alloc flag to ev_setup
2017-03-08 12:36:23 -07:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
13c5549009
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-07 21:12:44 +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
c3e7b8587a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13257 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-18 23:34:41 +00:00
71f5c17f67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-27 16:25:02 +00:00
aa9502ec5a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10984 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-06 15:33:13 +00:00
0bf07f466d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10661 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:29:56 +00:00
0be82bdfa0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-04 14:47:33 +00:00
da77d5e62a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-03 16:52:29 +00:00
dba019f3e4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-28 14:21:55 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
61c4fa6ee0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-05 15:31:20 +00:00
c6bbdcfbf2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-24 20:28:02 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
1f2a7add78
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-26 00:50:29 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
4cadf1cf49
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3727 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-19 00:04:52 +00:00
1a55f94e8a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@64 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2006-10-03 17:52:58 +00:00
222c95507e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2006-09-27 19:51:33 +00:00
