Ångström-scale chemically powered sphere-dimer motor https://colberg.org/angstrom-dimer
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Peter Colberg 27897291e8 Fix sampling of correlation functions for nonzero initial step 1 year ago
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box.cl Fix potential integer overflow 3 years ago
box.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
compute.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
config.lua Support loading configuration into existing table 3 years ago
correlation.lua Fix sampling of correlation functions for nonzero initial step 1 year ago
cumsum.cl Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
cumsum.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
domain.lua Remove forces from domain snapshot 3 years ago
h5md.lua Set minimum chunk size to 8 KB for scalar observables 3 years ago
hilbert.cl Allow overriding principal dimension of Hilbert curve 1 year ago
integrate.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
ljd.cl Fix energy drift for different CA and CB potentials 1 year ago
ljd.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
ljs.cl Fix detection of OpenCL device version 3 years ago
ljs.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
neighd.cl Fix detection of OpenCL device version 3 years ago
neighd.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
neighs.cl Fix detection of OpenCL device version 3 years ago
neighs.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
observe.lua Check step after integration 3 years ago
position.cl Fix detection of OpenCL device version 3 years ago
position.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
random.cl Fix detection of OpenCL device version 3 years ago
random.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
rattle.cl Fix detection of OpenCL device version 3 years ago
rattle.lua Avoid side effects in neighbour list checks 3 years ago
snapshot.lua Support varying final step for observables 3 years ago
sort.cl Fix detection of OpenCL device version 3 years ago
sort.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
species.cl Fix detection of OpenCL device version 3 years ago
species.lua Support varying final step for observables 3 years ago
statistics.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
thermo.lua Support varying final step for observables 3 years ago
trajd.lua Support varying final step for observables 3 years ago
trajs.lua Support varying final step for observables 3 years ago
velocity.cl Fix detection of OpenCL device version 3 years ago
velocity.lua Initialise Ångström-scale chemically powered sphere-dimer motor 3 years ago
verlet.cl Fix detection of OpenCL device version 3 years ago
verlet.lua Avoid side effects in neighbour list checks 3 years ago