Merge pull request #671 from danicholson/user-uef (e93f8f88) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

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		@@ -105,7 +105,7 @@ set(OTHER_PACKAGES KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE
		USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF
		USER-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC
		USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SMD
		USER-SMTBQ USER-SPH USER-TALLY USER-VTK USER-QUIP USER-QMMM)
		USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
		set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
		foreach(PKG ${DEFAULT_PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})

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		@@ -720,6 +720,8 @@ package"_Section_start.html#start_3.
		"nve/eff"_fix_nve_eff.html,
		"nvt/eff"_fix_nh_eff.html,
		"nvt/sllod/eff"_fix_nvt_sllod_eff.html,
		"npt/uef"_fix_nh_uef.html,
		"nvt/uef"_fix_nh_uef.html,
		"phonon"_fix_phonon.html,
		"pimd"_fix_pimd.html,
		"qbmsst"_fix_qbmsst.html,
		@@ -857,6 +859,7 @@ package"_Section_start.html#start_3.
		"meso/t/atom"_compute_meso_t_atom.html,
		"pe/tally"_compute_tally.html,
		"pe/mol/tally"_compute_tally.html,
		"pressure/uef"_compute_pressure_uef.html,
		"saed"_compute_saed.html,
		"smd/contact/radius"_compute_smd_contact_radius.html,
		"smd/damage"_compute_smd_damage.html,
		@@ -885,6 +888,7 @@ package"_Section_start.html#start_3.
		"temp/deform/eff"_compute_temp_deform_eff.html,
		"temp/region/eff"_compute_temp_region_eff.html,
		"temp/rotate"_compute_temp_rotate.html,
		"temp/uef"_compute_temp_uef.html,
		"xrd"_compute_xrd.html :tb(c=6,ea=c)

		:line

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		@@ -150,6 +150,7 @@ Package, Description, Doc page, Example, Library
		"USER-SMTBQ"_#USER-SMTBQ, second moment tight binding QEq potential,"pair_style smtbq"_pair_smtbq.html, USER/smtbq, -
		"USER-SPH"_#USER-SPH, smoothed particle hydrodynamics,"SPH User Guide"_PDF/SPH_LAMMPS_userguide.pdf, USER/sph, -
		"USER-TALLY"_#USER-TALLY, pairwise tally computes,"compute XXX/tally"_compute_tally.html, USER/tally, -
		"USER-UEF"_#USER-UEF, extensional flow,"fix nvt/uef"_fix_nh_uef.html, USER/uef, -
		"USER-VTK"_#USER-VTK, dump output via VTK, "compute vtk"_dump_vtk.html, -, ext :tb(ea=c,ca1=l)

		:line
		@@ -2771,6 +2772,37 @@ examples/USER/tally :ul

		:line

		USER-UEF package :link(USER-UEF),h4

		[Contents:]

		A fix style for the integration of the equations of motion under
		extensional flow with proper boundary conditions, as well
		as several supporting compute styles and an output option.

		[Author:] David Nicholson (MIT).

		[Install or un-install:]

		make yes-user-uef
		make machine :pre

		make no-user-uef
		make machine :pre

		[Supporting info:]

		src/USER-UEF: filenames -> commands
		src/USER-UEF/README
		"fix nvt/uef"_fix_nh_uef.html
		"fix npt/uef"_fix_nh_uef.html
		"compute pressure/uef"_compute_pressure_uef.html
		"compute temp/uef"_compute_temp_uef.html
		"dump cfg/uef"_dump_cfg_uef.html
		examples/uef :ul

		:line

		USER-VTK package :link(USER-VTK),h4

		[Contents:]

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