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multiscale
lammps
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6d24be8bb70f3fe02cd08efa41a042c560c6c7d4
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compute_momentum
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Created with Raphaël 2.2.0
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Rename crystal.lmp to in.crystal
reformatting and use citeme class
add the LAMMPS copyright
add the usual LAMMPS copyright
Delete fix_rhok.cpp
Delete fix_rhok.h
intel_simd.h is currently also needed by dihedral/charmm, not just sw.
Minor adjustments to intel makefiles and documentation based on the reversed
include dump cfg/uef in commands toctree
added citation to doc
formatting changes
reran npt_biaxial examples
Minor fix for FixNHUef constructor
update README in USER-INTEL for recent LRT logic reversal
update documentation for the reversal in the INTEL_MKL_RNG define
reverse logic for using MKL pRNG: this way, make serial and make mpi will compile LAMMPS with USER-INTEL installed
rerun logfiles for USER-UEF example inputs
include USER-UEF styles in PDF version of manual
add USER-UEF classes to .gitignore
small code refactor for FixNHUef class
formatting, whitespace and include file/constants cleanup
provide compatibility entries in FixNH option parsing for new USER-UEF package
whitespace cleanup
Reduce GPU data transfer
Adding pair style dpd/intel and dihedral style fourier/intel
DOC: Corrected syntax for appending at certain frame (NetCDF only)
MAINT: Only set append flag when not in multifile mode.
DOC: Added multi file example.
MAINT: Removed obsolete prmtop writer.
ENH: Enable multi file writes.
MAINT: Renamed _put_var1_x to _put_var1_bigint
MAINT: bigint (int64) maps onto either long or long long, depending on platform. Automatically choose the correct one.
Fix typo
cleanup/simplification of compilation for fix phonon analysis tool "phana"
Reduce memory churn in Kokkos package
rename arg_kludge to uef_arg_kludge
reran examples
Partially revert 01d0a5c, avoid atomics, safe because of the while loop. Worst case is the resize will happen again because max wasn't accurate
doc revisions
Add sync/modify to nbin_kokkos
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