alphataubio 590c7dcf8f Merge branch 'lammps:develop' into spica-kk

2024-07-25 13:54:44 -04:00

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addtorque

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adios

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agni

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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

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basal

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bocs

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brownian

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cauchy

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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

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colvars

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dielectric

rerun updated examples and record log files

2023-03-07 14:36:56 -05:00

diffraction

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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

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dpd-smooth

Updating SDPD examples

2023-06-07 13:08:46 -06:00

drude

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e3b

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edip

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ees

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eff

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electrode

Bugfix virial with fix electrode

2024-07-01 10:05:28 +02:00

electron_stopping

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entropy

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extep

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fep

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filter_corotate

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flow_gauss

recenter 2d boxes around 0.0

2023-12-06 08:31:41 -05:00

gauss_diel

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gle

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grem

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hdnnp

add reference log outputs for ML-HDNNP and add input demoing use with hybrid

2023-08-23 08:58:20 -04:00

hma

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imd

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interlayer

Merge branch 'ilp-tmd-update' of github.com:oywg11/lammps into collected-small-fixes

2023-12-22 14:45:43 -05:00

ipi

Updated i-pi example

2024-06-04 23:48:17 +02:00

latboltz

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local_density

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machdyn

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manifold

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manybody_table

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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

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momb

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momentum

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mop

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orient_eco

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pace

update compute pace example to follow usual conventions

2023-12-05 06:15:40 -05:00

pafi

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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

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pod

Remove unused parameters, change command name, and update documentation and examples..

2024-06-24 22:32:35 -04:00

ptm

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qtb

update example inputs and logs for change in ReaxFF required name

2023-11-30 10:31:08 -05:00

quip

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rann

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reaction

make use of new dump_modify in examples

2024-05-21 19:40:28 -04:00

rhok

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scafacos

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slater

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smtbq

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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

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srp_react

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stressprofile

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tally

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temper_npt

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ti

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tmd

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uef

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uf3

update ML-UF3 example

2024-05-13 20:29:20 -04:00

vtk

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yaff

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