Merge branch 'master' into progguide (972352ae) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+1 −1

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		@@ -193,7 +193,7 @@ if(NOT ${LAMMPS_MEMALIGN} STREQUAL "0")
		target_compile_definitions(lammps PRIVATE -DLAMMPS_MEMALIGN=${LAMMPS_MEMALIGN})
		endif()

		option(LAMMPS_EXCEPTIONS "enable the use of C++ exceptions for error messages (useful for library interface)" OFF)
		option(LAMMPS_EXCEPTIONS "enable the use of C++ exceptions for error messages (useful for library interface)" ${ENABLE_TESTING})
		if(LAMMPS_EXCEPTIONS)
		target_compile_definitions(lammps PUBLIC -DLAMMPS_EXCEPTIONS)
		endif()

+0 −7

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		@@ -46,13 +46,6 @@ An alphabetic list of all general LAMMPS commands.
		* :doc:`dimension <dimension>`
		* :doc:`displace_atoms <displace_atoms>`
		* :doc:`dump <dump>`
		* :doc:`dump atom/adios <dump_adios>`
		* :doc:`dump custom/adios <dump_adios>`
		* :doc:`dump image <dump_image>`
		* :doc:`dump movie <dump_image>`
		* :doc:`dump netcdf <dump_netcdf>`
		* :doc:`dump netcdf/mpiio <dump_netcdf>`
		* :doc:`dump vtk <dump_vtk>`
		* :doc:`dump_modify <dump_modify>`
		* :doc:`dynamical_matrix <dynamical_matrix>`
		* :doc:`echo <echo>`

+2 −0

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		@@ -80,6 +80,7 @@ KOKKOS, o = USER-OMP, t = OPT.
		* :doc:`ke/eff <compute_ke_eff>`
		* :doc:`ke/rigid <compute_ke_rigid>`
		* :doc:`mesont <compute_mesont>`
		* :doc:`mliap <compute_mliap>`
		* :doc:`momentum <compute_momentum>`
		* :doc:`msd <compute_msd>`
		* :doc:`msd/chunk <compute_msd_chunk>`
		@@ -122,6 +123,7 @@ KOKKOS, o = USER-OMP, t = OPT.
		* :doc:`smd/tlsph/strain/rate <compute_smd_tlsph_strain_rate>`
		* :doc:`smd/tlsph/stress <compute_smd_tlsph_stress>`
		* :doc:`smd/triangle/vertices <compute_smd_triangle_vertices>`
		* :doc:`smd/ulsph/effm <compute_smd_ulsph_effm>`
		* :doc:`smd/ulsph/num/neighs <compute_smd_ulsph_num_neighs>`
		* :doc:`smd/ulsph/strain <compute_smd_ulsph_strain>`
		* :doc:`smd/ulsph/strain/rate <compute_smd_ulsph_strain_rate>`

+8 −8

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		@@ -136,22 +136,22 @@ OPT.
		* :doc:`lj/class2/soft <pair_fep_soft>`
		* :doc:`lj/cubic (go) <pair_lj_cubic>`
		* :doc:`lj/cut (gikot) <pair_lj>`
		* :doc:`lj/cut/coul/cut (gko) <pair_lj>`
		* :doc:`lj/cut/coul/cut (gko) <pair_lj_cut_coul>`
		* :doc:`lj/cut/coul/cut/soft (o) <pair_fep_soft>`
		* :doc:`lj/cut/coul/debye (gko) <pair_lj>`
		* :doc:`lj/cut/coul/dsf (gko) <pair_lj>`
		* :doc:`lj/cut/coul/long (gikot) <pair_lj>`
		* :doc:`lj/cut/coul/debye (gko) <pair_lj_cut_coul>`
		* :doc:`lj/cut/coul/dsf (gko) <pair_lj_cut_coul>`
		* :doc:`lj/cut/coul/long (gikot) <pair_lj_cut_coul>`
		* :doc:`lj/cut/coul/long/cs <pair_cs>`
		* :doc:`lj/cut/coul/long/soft (o) <pair_fep_soft>`
		* :doc:`lj/cut/coul/msm (go) <pair_lj>`
		* :doc:`lj/cut/coul/wolf (o) <pair_lj>`
		* :doc:`lj/cut/coul/msm (go) <pair_lj_cut_coul>`
		* :doc:`lj/cut/coul/wolf (o) <pair_lj_cut_coul>`
		* :doc:`lj/cut/dipole/cut (go) <pair_dipole>`
		* :doc:`lj/cut/dipole/long (g) <pair_dipole>`
		* :doc:`lj/cut/dipole/sf (go) <pair_dipole>`
		* :doc:`lj/cut/soft (o) <pair_fep_soft>`
		* :doc:`lj/cut/thole/long (o) <pair_thole>`
		* :doc:`lj/cut/tip4p/cut (o) <pair_lj>`
		* :doc:`lj/cut/tip4p/long (got) <pair_lj>`
		* :doc:`lj/cut/tip4p/cut (o) <pair_lj_cut_tip4p>`
		* :doc:`lj/cut/tip4p/long (got) <pair_lj_cut_tip4p>`
		* :doc:`lj/cut/tip4p/long/soft (o) <pair_fep_soft>`
		* :doc:`lj/expand (gko) <pair_lj_expand>`
		* :doc:`lj/expand/coul/long (g) <pair_lj_expand>`

+2 −2

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		@@ -102,8 +102,8 @@ documentation for the formula it computes.
		* :doc:`pair_style <pair_buck>` buck/coul/cut
		* :doc:`pair_style <pair_buck>` buck/coul/long
		* :doc:`pair_style <pair_lj>` lj/cut
		* :doc:`pair_style <pair_lj>` lj/cut/coul/cut
		* :doc:`pair_style <pair_lj>` lj/cut/coul/long
		* :doc:`pair_style <pair_lj_cut_coul>` lj/cut/coul/cut
		* :doc:`pair_style <pair_lj_cut_coul>` lj/cut/coul/long

		* :doc:`pair_style <pair_hbond_dreiding>` hbond/dreiding/lj
		* :doc:`pair_style <pair_hbond_dreiding>` hbond/dreiding/morse