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e9f07af1408c2e16051bda0c75ab76722bbd367b
lammps-gran-kokkos/examples/PACKAGES
History
Trung Nguyen e9f07af140 added the reference log files for example inputs under PACKAGES/eff
2025-02-01 14:55:38 -06:00
..
addtorque
move some styles around
2021-07-09 16:54:00 -04:00
adios
rename example folders
2021-06-29 11:23:47 -04:00
agni
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
alchemy
make ramp more flexible by defining lambda through a variable
2023-02-27 16:01:17 -05:00
atc
use dynamic/dof and extra/dof consistently. remove compatibility note in docs.
2023-06-30 16:27:07 -04:00
awpmd
rename example folders
2021-06-29 11:23:47 -04:00
basal
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
bocs
rename example folders
2021-06-29 11:23:47 -04:00
brownian
rename example folders
2021-06-29 11:23:47 -04:00
cauchy
fix broken symbolic links
2021-07-28 21:32:52 -04:00
cgdna
rename CG-DNA potential files
2024-06-20 14:33:26 -04:00
cgspica
fixes
2024-07-07 02:59:43 -04:00
charge_regulation
use dynamic/dof and extra/dof consistently. remove compatibility note in docs.
2023-06-30 16:27:07 -04:00
cnp
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
colvars
recreate example logs with new colvars version
2024-08-05 22:12:30 -04:00
dielectric
rerun updated examples and record log files
2023-03-07 14:36:56 -05:00
diffraction
rename example folders
2021-06-29 11:23:47 -04:00
dispersion
small cosmetic changes, simplify d2/d3 examples, and create consistent logs
2024-12-20 18:49:55 -05:00
dpd-basic
update example for dpd/coul/slater/long
2024-06-19 11:00:21 -04:00
dpd-meso
Updated doc pages for the added pair styles, added a cmake preset for gpu-cuda, added "comm_modify vel yes" to in.mdpd
2023-12-05 15:32:57 -06:00
dpd-react
rename some examples folders
2021-06-29 20:25:18 -04:00
dpd-smooth
use compliant box creation for 2d
2024-08-12 21:25:42 -04:00
drude
rename example folders
2021-06-29 11:23:47 -04:00
e3b
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
edip
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
ees
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
eff
added the reference log files for example inputs under PACKAGES/eff
2025-02-01 14:55:38 -06:00
electrode
Bugfix virial with fix electrode
2024-07-01 10:05:28 +02:00
electron_stopping
add missing potentials via symlinks
2024-08-12 21:55:13 -04:00
entropy
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
extep
more tweaks for extep potential file
2022-03-22 22:21:23 -04:00
fep
add symbolic links for data file for FEP examples
2022-11-15 17:07:02 -05:00
filter_corotate
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
flow_gauss
recenter 2d boxes around 0.0
2023-12-06 08:31:41 -05:00
gauss_diel
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
gle
add some metadata for fix gle matrix files
2022-01-18 19:55:30 -05:00
grem
move some styles around
2021-07-09 16:54:00 -04:00
hdnnp
add reference log outputs for ML-HDNNP and add input demoing use with hybrid
2023-08-23 08:58:20 -04:00
hma
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
imd
example IMDv3 usage
2025-01-09 21:55:44 -07:00
interlayer
symlink potentials
2024-08-12 22:02:57 -04:00
ipi
Updated i-pi example
2024-06-04 23:48:17 +02:00
latboltz
update log file
2024-08-16 17:36:19 -04:00
local_density
update local/density examples to follow conventions more closely
2021-12-10 08:50:58 -05:00
machdyn
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
manifold
rename example folders
2021-06-29 11:23:47 -04:00
manybody_table
merge with third manybody table example and provide updated log files
2022-06-01 15:04:07 -04:00
meam_spline
update examples and log files for pair style meam/spline
2022-12-18 11:32:37 -05:00
meam_sw_spline
correct for changed reference results due to fixing the potential file issue
2022-12-18 11:22:11 -05:00
mesont
remove Fortran library based MESONT styles and the library itself
2023-01-20 19:12:42 -05:00
mgpt
update log files for MGPT package
2024-02-07 03:57:12 -05:00
mofff
rename example folders
2021-06-29 11:23:47 -04:00
momb
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
momentum
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
mop
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
orient_eco
fix broken symbolic links
2021-07-28 21:32:52 -04:00
pace
update pace plugin loader to include the two additional styles added
2024-09-03 22:30:32 -04:00
pafi
symlink potentials
2024-08-12 22:02:57 -04:00
pedone
add example for Ca-O with Pedone
2024-04-09 22:08:30 -04:00
phonon
merge with GHub version
2023-12-13 09:05:27 -07:00
pimd
update h2 fix pimd/langevin example
2023-11-16 12:00:29 -05:00
plumed
update list of dependencies
2024-08-28 15:30:44 -04:00
pod
Remove unused parameters, change command name, and update documentation and examples..
2024-06-24 22:32:35 -04:00
ptm
rename example folders
2021-06-29 11:23:47 -04:00
qtb
update example inputs and logs for change in ReaxFF required name
2023-11-30 10:31:08 -05:00
quip
add data/units comments to example quip potential files
2021-07-20 19:31:52 -04:00
rann
rename example folders
2021-06-29 11:23:47 -04:00
reaction
clean up tiny_nylon example
2024-08-25 14:19:17 -04:00
rhok
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
scafacos
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
slater
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
smtbq
move sources and examples for smatb styles to SMTBQ package folders
2022-04-27 15:14:02 -04:00
sna_nnn_slcsa
minor fix
2023-12-13 11:57:03 -05:00
sph
Fix SPH shock tube 2d example input deck
2022-11-23 15:14:12 +01:00
srp
reformat, simplify, add reference log files
2021-07-29 15:40:43 -04:00
srp_react
Initial commit for pair style srp-react files
2022-07-06 10:55:14 -04:00
stressprofile
updating to match new 1d syntax
2025-01-29 13:29:15 -07:00
tally
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
temper_npt
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
ti
symlink potentials
2024-08-12 22:02:57 -04:00
tmd
add minimal fix tmd example
2022-03-31 07:31:43 -04:00
uef
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
uf3
update ML-UF3 example
2024-05-13 20:29:20 -04:00
vtk
rename example folders
2021-06-29 11:23:47 -04:00
yaff
rename example folders
2021-06-29 11:23:47 -04:00