2504 Commits

Author SHA1 Message Date
d075b97762 Merge pull request #142 from ParticulateFlow/release
Release 24.01
24.01
2024-01-23 16:35:05 +01:00
42263a1b8b move deletion of particles to pre_exchange method
deletion of particles requires a neighbor list rebuild and should always
be done in pre_exchange

force_reneighbor: 1 indicates that this fix might require neighbor list
rebuilds and adds the fix to a list that gets checked for that event
next_reneighbor: used in deciding whether or not to trigger rebuild in
the current time step
2024-01-22 13:16:48 +01:00
938258d714 [DOC] fix link 2024-01-19 16:48:28 +01:00
aa7daf56cc bump version number to 24.01 2024-01-19 16:42:23 +01:00
d6bf1e7b03 [DOC] minor updates
fix c&p errors, add links
2024-01-19 16:38:51 +01:00
58bb93ec72 add test cases for fix massflow/mesh + multisphere
test multiple massflow/mesh fixes with multisphere particles
test restarting of massflow/mesh fixes with multisphere particles
2024-01-12 12:30:17 +01:00
3ea7d0c825 reduce steps till next_reneighboring
and enforce reneighboring if we are deleting multisphere bodies
2024-01-11 18:02:33 +01:00
7819a6e64f calculate virial only for local atoms 2024-01-11 17:59:29 +01:00
74b7435678 replace round() == with compDouble 2024-01-11 17:44:08 +01:00
8899f489eb clean up comments and formatting 2024-01-11 16:05:57 +01:00
a54dee2063 add check for number of insert/stream fixes for integration of ms 2024-01-11 15:00:37 +01:00
85f926fa3e move calculations of ms comm properties from init to setup
add setup_pre_exchange()
2024-01-11 14:48:34 +01:00
ac2c47a715 fix restarting of multisphere and massflow/mesh
make sure counter properties are registered before reading multisphere
values from restart file;
also allow usage of multiple fix massflow/mesh for multisphere particles
by adding fix id to counter property name
2024-01-11 14:06:38 +01:00
75b1201f86 add check for particle being part of a multisphere body 2024-01-11 14:02:02 +01:00
1f12e67fb4 allow multispheres with single atom 2024-01-11 13:11:23 +01:00
21228db28a increase buffer for error message 2024-01-11 13:09:04 +01:00
6f2867a839 fix memory leak in fix massflow/mesh/face 2024-01-11 11:11:56 +01:00
04280e17ed remove unneeded check
delete NULL is fine
2024-01-10 17:47:16 +01:00
902e8c827d add .gitignore file
preserve required folder structure
2024-01-08 15:04:08 +01:00
ff5b9ae95a adjust chemistry test cases
these cases now require fix property/atom Temp
cf. commit f804abab4c
2024-01-08 15:01:01 +01:00
d1b5e46a40 fix comments 2024-01-08 14:40:30 +01:00
f20edad3e8 formatting 2024-01-08 14:39:54 +01:00
c2a9ffa28d adapt tutorial cases for layer-dependent pore diameters 2024-01-08 10:21:36 +01:00
4c681e414d Merge branch 'develop' of https://github.com/ParticulateFlow/LIGGGHTS into develop 2023-12-22 15:53:21 +01:00
5798e1b4c8 fix generation of points in dynamic intersect and union regions
enable the intersect region to do forward and inverse transforms of
given points instead of just transforming the sub-regions

forward transform and re-calculate bounding box for point generation
instead of using region space for point generation and forward
transfoming every point

these changes require certain members of the region class to be made
publicly accessible

note that the inside() methods of intersect and union regions now
call the inside() methods of the subregions instead of the match methods
which means that the inside() functions of intersect and union regions
expect the given point already inverse transformed (i.e. in region space)
2023-12-22 15:47:36 +01:00
5836247f8a Merge pull request #141 from ParticulateFlow/feature/meshRotations
rotationModified - a new style for the fix move/mesh
2023-12-20 18:20:46 +01:00
0c2261bda5 [DOC] minor rewording 2023-12-20 18:19:12 +01:00
2e8389f6a7 [DOC] rotate/modified -> rotate/superposable 2023-12-20 18:16:32 +01:00
2338e47262 add .gitignore file to preserve post folder 2023-12-20 18:12:17 +01:00
42a6d95c69 fix volume calculation for dynamic regions
need to transform position from region space to global space
if region is dynamic
2023-12-19 23:35:31 +01:00
3cdf91cb40 remove redundant check
delete NULL is a no-op
2023-12-19 23:12:11 +01:00
989eba6eb0 improve random point generation for dynamic regions
in case of dynamic regions we need to forward_transform the point since
the point is generated in region space and also the match* functions
perform an inverse_transform to bring the given point into the region space
for inside testing;

note that there is still some issue for dynamic regions:
- in case of subdomain_flag=true the region bounding box in region space
is tested against the subdomain bounding box in global space;
- if the transformed region has no intersection with the subdomain, no
point can ever match the exit condition of the while loop
(for static regions this is usually avoided by calculating the volume fraction
of the region in each subdomain via Region::volume_mc(), not calling the
generate_random* functions if the volume fraction is below a certain treshold)
2023-12-19 13:44:26 +01:00
1fb94feb94 clean up whitespaces [ci skip] 2023-12-19 12:34:53 +01:00
baf63a8bde fix up pretransform of RegIntersect and RegUnion
need to pretransform all sub-regions
2023-12-19 12:33:16 +01:00
b0abfa442e mark intersect and union regions dynamic if any of the sub-regions are
to ensure proper behavior of intersect and union regions whenever 'dynamic'
is checked in base class;
this also makes the dynamic_check() methods in RegIntersect and RegUnion redundant;
2023-12-19 12:30:38 +01:00
2ef1a44051 fix memory leak in fix scale/diameter
delete scale_to_str_ in destructor
2023-12-19 11:59:56 +01:00
031e477ef1 fix bug in region wedge
center coordinates were mixed up for wedge with y-axis;
corrected as per documentation:
c1 = z-coordinate, c2 = x-coordinate for wedge with y-axis
2023-12-18 11:47:49 +01:00
5bf2721e86 fix up error message for region cone 2023-12-18 11:45:17 +01:00
d23fba0da5 renamed mesh-movement class 2023-12-18 09:46:30 +01:00
477fa7ae10 remove unused variable 2023-12-13 16:37:16 +01:00
4994a486a3 clean up comments 2023-12-13 16:37:02 +01:00
37064553f0 add .gitignore file to preserve post folder 2023-12-13 16:16:30 +01:00
f484438bb9 fix up formatting [ci skip] 2023-12-13 15:10:18 +01:00
14b1525a2d add test for particle deletion via fix couple/cfd/deform [ci skip]
make sure that correct particles are deleted (after deletion min ID = 2,
max ID = 7)
2023-12-12 19:01:04 +01:00
0c3d81547e also protect fix couple/cfd/dissolve against tags > max tag
make sure that tag of atom to delete is in valid range (atom may already
have been deleted by other commands)
2023-12-12 16:46:11 +01:00
d0a028d5f2 [DOC] fix c&p error [ci skip] 2023-12-12 16:35:04 +01:00
e409b55122 add test for particle deletion via fix couple/cfd/dissolve [ci skip]
make sure that correct particles are deleted (after deletion min ID = 2,
max ID = 6)
2023-12-12 16:29:51 +01:00
a8da4568b6 rotationModified - a new style for the fix move/mesh
This is essentially a copy of the rotation style with minor variations
on the inner workings of the style.

mesh_mover contains a new class for this new rotation style
fix_move_mesh contains new code to store a rotation axis, similar to the storing of a reference point

A tutorial case demonstrating super-imposed mesh rotations has been added
2023-12-12 13:58:46 +01:00
df0798a702 add testharness run.config file for test case [ci skip] 2023-12-12 13:13:57 +01:00
09ae9a6b92 change verbose flag in test case [ci skip] 2023-12-12 13:10:36 +01:00