|
|
be6fcaa77f
|
modernize
|
2023-11-12 04:58:24 -05:00 |
|
|
|
a5f61c5d44
|
address bugs and issues flagged by static code analysis with coverity scan
|
2023-10-18 07:59:22 -04:00 |
|
|
|
6442763b70
|
indicate that fix press/langevin changes box dimensions
|
2023-10-07 12:08:02 -04:00 |
|
|
|
5649381f01
|
enable and apply clang-format
|
2023-10-07 12:03:18 -04:00 |
|
|
|
3b02979645
|
improve error messages
|
2023-10-07 12:01:33 -04:00 |
|
|
|
578c95fb42
|
modernize access to list of fixes and their properties
|
2023-10-07 12:01:13 -04:00 |
|
|
|
090f12e029
|
Minor edits, mainly affecting friction keyword
|
2023-10-06 17:03:41 -06:00 |
|
|
|
ea8d6aaa52
|
Version of the code with Pdamp similar to NH barostat and friction input
as Langevin caracteristic time.
|
2023-10-05 16:01:03 +02:00 |
|
|
|
7c17ea632c
|
Reverted changes to tau as a time constant. To be checked.
|
2023-08-07 12:09:44 +02:00 |
|
|
|
bb1ff49af6
|
Corrected bug from f_piston not initialised. Removed superfluous
temp compute id variable name
|
2023-06-07 14:03:40 +02:00 |
|
|
|
a4e7966da5
|
Fixed some error messages for consistency.
Seed did not need comm->me addition.
|
2023-06-06 09:11:27 +02:00 |
|
|
|
ab925000fe
|
Added triclinic and relative remap functions to press/langevin files
|
2023-05-19 16:34:42 +02:00 |
|
|
|
859012b192
|
Initial commit of an early version of anisotropic Langevin barostat.
|
2023-05-17 17:13:07 +02:00 |
|
