aa3c287999
add wrapper to extract value of equal style and compatible variables
2024-07-29 00:05:53 -04:00
90dee57aae
try using LJ sigma for particle radius in VDW mode
2024-07-16 01:40:18 -04:00
2c636c83f5
check for compatible LAMMPS version when creating LAMMPS instance
...
This check must be done at runtime, since the LAMMPS shared library
may have been loaded dynamically and thus required library functions
may not be present or missing features with too only a LAMMPS version.
2023-09-25 08:35:23 -04:00
29989f102a
remove unused class members and silence compiler warnings
2023-09-24 23:08:59 -04:00
b6d10d1e20
implement command completion popup
2023-09-01 02:43:32 -04:00
d864b4789f
refactor variable info in Info class, make info accessible from library interface
2023-08-25 23:55:42 -04:00
c61aaa81d2
add support to run LAMMPS on the file instead of the edit buffer
2023-08-25 15:12:48 -04:00
3ac856cc92
add extract_global() and extract_atom()
2023-08-17 00:39:10 -04:00
2e0e3d9204
add support for near-interactive image processing
2023-08-10 23:27:04 -04:00
fe7681d0b3
add chart viewer window to show graphs of ongoing runs from thermo data
2023-08-09 00:32:34 -04:00
f6732f028c
support running with Kokkos + OpenMP
2023-08-02 21:06:30 -04:00
2808a78822
more updates to preferences dialog and supporting code. almost done.
2023-08-02 17:28:34 -04:00
8a53c66bef
refactor. add LammpsWrapper class to hide plugin defines and interface changes.
2023-08-02 01:49:39 -04:00
