Fold hma compute into USER-MISC

This commit is contained in:
Andrew Schultz
2019-06-19 16:12:15 -04:00
parent 04cfaae54f
commit 395a9d3739
9 changed files with 2 additions and 23 deletions

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@ -177,8 +177,8 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE
GRANULAR KSPACE LATTE MANYBODY MC MESSAGE MISC MOLECULE PERI POEMS QEQ
REPLICA RIGID SHOCK SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI
USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS
USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-HMA
USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB
USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE
USER-NETCDF USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC
USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF
USER-VTK USER-QUIP USER-QMMM USER-YAFF USER-ADIOS)

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@ -76,7 +76,6 @@ as contained in the file name.
"USER-EFF"_#PKG-USER-EFF,
"USER-FEP"_#PKG-USER-FEP,
"USER-H5MD"_#PKG-USER-H5MD,
"USER-HMA"_#PKG-USER-HMA,
"USER-INTEL"_#PKG-USER-INTEL,
"USER-LB"_#PKG-USER-LB,
"USER-MANIFOLD"_#PKG-USER-MANIFOLD,
@ -1375,25 +1374,6 @@ lib/h5md/README
:line
USER-HMA package :link(PKG-USER-HMA),h4
[Contents:]
Harmonically mapped averaging for efficient calculation of properties of
crystalline solids. The compute hma can specify use of HMA for calculation of
potential energy, pressure and heat capacity.
[Author:] Apoorva Purohit, Andrew Schultz and David Kofke (University at
Buffalo, NY, USA)
[Supporting info:]
examples/USER/hma/README
src/USER-HMA/README
"compute hma"_compute_hma.html :ul
:line
USER-INTEL package :link(PKG-USER-INTEL),h4
[Contents:]

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@ -51,7 +51,6 @@ Package, Description, Doc page, Example, Library
"USER-EFF"_Packages_details.html#PKG-USER-EFF, electron force field,"pair_style eff/cut"_pair_eff.html, USER/eff, no
"USER-FEP"_Packages_details.html#PKG-USER-FEP, free energy perturbation,"compute fep"_compute_fep.html, USER/fep, no
"USER-H5MD"_Packages_details.html#PKG-USER-H5MD, dump output via HDF5,"dump h5md"_dump_h5md.html, n/a, ext
"USER-HMA"_Packages_details.html#PKG-USER-HMA, compute properties via HMA,"compute hma"_compute_hma.html, USER/hma, no
"USER-INTEL"_Packages_details.html#PKG-USER-INTEL, optimized Intel CPU and KNL styles,"Speed intel"_Speed_intel.html, "Benchmarks"_http://lammps.sandia.gov/bench.html, no
"USER-LB"_Packages_details.html#PKG-USER-LB, Lattice Boltzmann fluid,"fix lb/fluid"_fix_lb_fluid.html, USER/lb, no
"USER-MANIFOLD"_Packages_details.html#PKG-USER-MANIFOLD, motion on 2d surfaces,"fix manifoldforce"_fix_manifoldforce.html, USER/manifold, no