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Axel Kohlmeyer 31f7798720 Merge pull request #3278 from yury-lysogorskiy/feature/ml-pace-multispecies 
ML_PACE package hybrid support and small updates
2022-06-02 19:27:53 -04:00
..
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
atc
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -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
Added duplication of stdout into logfile
2022-01-07 13:45:54 +00:00
cgsdk
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
2021-06-29 15:28:27 -04:00
charge_regulation
must use a soft core potential to avoid a singularity
2021-09-24 16:22:44 -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
rename example folders
2021-06-29 11:23:47 -04:00
dielectric
Updated doc page of the set command for the local dielectric constant,
2022-04-11 15:01:19 -05:00
diffraction
rename example folders
2021-06-29 11:23:47 -04:00
dpd-basic
update DPD-BASIC package examples
2022-04-05 21:50:36 -04:00
dpd-meso
rename some more example folders
2021-06-29 21:48:57 -04:00
dpd-react
rename some examples folders
2021-06-29 20:25:18 -04:00
dpd-smooth
rename some examples folders
2021-06-29 20:25:18 -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
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
electrode
Set rng init for electrode/thermo
2022-04-26 16:03:45 +02:00
electron_stopping
add some metadata tags
2022-01-18 16:48:07 -05:00
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
update doc and example
2022-03-31 12:25:10 +08:00
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
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
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
rename example folders
2021-06-29 11:23:47 -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
move some styles around
2021-07-09 16:54:00 -04:00
interlayer
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
ipi
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
latboltz
correct toycar input example
2022-03-18 06:02:38 -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
mdi
rename example folders
2021-06-29 11:23:47 -04:00
meam_spline
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
meam_sw_spline
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
mesont
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
mgpt
rename example folders
2021-06-29 11:23:47 -04:00
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
whitespace
2022-06-01 21:54:33 -04:00
pafi
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
phonon
rename example folders
2021-06-29 11:23:47 -04:00
pimd
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
plumed
rename example folders
2021-06-29 11:23:47 -04:00
ptm
rename example folders
2021-06-29 11:23:47 -04:00
qtb
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
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
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -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
sph
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
srp
reformat, simplify, add reference log files
2021-07-29 15:40:43 -04:00
stressprofile
Switched all command and class names from pressure to stress
2022-03-07 11:27:37 -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
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -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
vtk
rename example folders
2021-06-29 11:23:47 -04:00
yaff
rename example folders
2021-06-29 11:23:47 -04:00