45ca21da3b
fix typo
2023-12-14 11:21:16 -05:00
c0cab665e4
complete printf format
2023-12-03 04:18:44 -05:00
2970d73d22
cosmetic
2023-12-02 08:53:20 -05:00
cace83e30d
improve error handling to make coverity scan happy
2023-12-02 08:53:05 -05:00
2b6c2e07a4
add -help flag and help message output. step version number. update docs.
2023-03-10 21:26:40 -05:00
80233f353f
port UTF-8 to ASCII substitution to msi2lmp and apply to reading .frc files
2023-03-10 20:56:55 -05:00
2dad2586f1
update help message
2023-03-10 20:16:39 -05:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
f6dc6ca6e2
make certain there is a blank between Dihedral Coeffs an the type hint
2022-09-06 22:23:38 -04:00
ad20e54638
fix typos
2022-06-20 23:19:00 -04:00
c54fe7d97d
small update
2022-04-10 08:00:47 -04:00
fb8074d294
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
c9de8fca1d
silence compiler warnings
2022-01-29 17:07:00 -05:00
aab3e085a2
silence compiler warning on windows
2021-10-06 16:49:48 -04:00
e88d42f596
correct indentation
2021-01-17 16:06:08 -05:00
0ed935ab76
silence compiler warning on windows
2020-09-29 11:19:12 -04:00
f541647d44
some more IWYU tweaks
2020-09-04 09:23:20 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
13cf357f66
document in README, that msi2lmp is now build alongside LAMMPS
2019-04-07 00:47:10 -04:00
ab8215a669
remove dead code
2018-11-09 01:09:31 -05:00
fe04147ee0
fix typo
2018-11-09 01:09:22 -05:00
7ed6cab040
do not generate illegal dihedrals, e.g. from 3-membered rings
2018-11-05 20:35:43 -05:00
54dc73c771
correctly compute adjusted box lengths for triclinic boxes. code taken from topotools
2018-02-19 14:06:26 +01:00
7bd089aa6d
fix typo
2018-02-19 14:05:50 +01:00
60e14f1490
add comment to msi2lmp README about symmetry limitations
2017-08-14 08:54:26 -04:00
dec36e9bfe
fix typos and remove trailing whitespace
2017-04-17 17:40:57 -04:00
dd90c860ee
refactor msi2lmp documentation to emphasize lack of active development
...
- put a note into the manual
- reorder contents of the README file
- request for information should be sent to lammps-users
- add list of known missing features
2017-04-17 17:40:21 -04:00
08baaa9d8e
Fix more typos in tools
2017-03-07 01:00:25 -05:00
dd76ac5010
Fix typos in tools folder
2017-03-05 21:18:01 -05:00
7ddb6670c0
fix typo
2016-11-30 00:12:35 -05:00
0853cdbe6f
update reference data files for updated/corrected clayff parameters
2016-10-06 11:47:08 -04:00
22ce671804
improved whitespace handling in msi2lmp for force fields and topologies
2016-10-06 11:16:59 -04:00
d7c5025530
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 13:58:37 +00:00
0aa77408f8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:46:30 +00:00
01e0beda67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 19:44:45 +00:00
89c7a5df32
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-12 14:13:43 +00:00
4e3bc9d059
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-30 13:48:37 +00:00
544bf593c5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-19 18:26:56 +00:00
3f7d79ab82
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 14:24:09 +00:00
5f9001a59d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-04 16:59:03 +00:00
a886c8450a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:39:57 +00:00
0f1efa0c79
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:39:37 +00:00
3285598d8d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:38:44 +00:00
5ec1f8057e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 15:38:25 +00:00
2ea115cfc2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:31:33 +00:00
f143f1a546
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:31:17 +00:00
ebe6ead348
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-05 14:11:56 +00:00
7b1a0c4b1f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-02 15:06:22 +00:00
0ce4185a7c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-02 15:06:16 +00:00
69d7e0a823
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-02 15:05:49 +00:00
