Commit ff0441ac authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #286 from akohlmey/small-fixes-and-updates

Collected small fixes and updates
parents 41907d31 230b29ea
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+1 −1
Original line number Diff line number Diff line
@@ -43,7 +43,7 @@ clean-all:
	rm -rf $(BUILDDIR)/* utils/txt2html/txt2html.exe

clean:
	rm -rf $(RSTDIR)
	rm -rf $(RSTDIR) html

html: $(OBJECTS)
	@(\
+2 −2
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@@ -913,8 +913,8 @@ KOKKOS, o = USER-OMP, t = OPT.
"coul/msm"_pair_coul.html,
"coul/streitz"_pair_coul.html,
"coul/wolf (ko)"_pair_coul.html,
"dpd (o)"_pair_dpd.html,
"dpd/tstat (o)"_pair_dpd.html,
"dpd (go)"_pair_dpd.html,
"dpd/tstat (go)"_pair_dpd.html,
"dsmc"_pair_dsmc.html,
"eam (gkot)"_pair_eam.html,
"eam/alloy (gkot)"_pair_eam.html,
+8 −8
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@@ -103,14 +103,14 @@ fix integration_fix tlsph smd/integrate_tlsph
####################################################################################################
# SPECIFY TRAJECTORY OUTPUT
####################################################################################################
compute         dt_atom all smd/tlsph_dt
compute 	p all smd/plastic_strain
compute 	epsdot all smd/plastic_strain_rate
compute 	S all smd/tlsph_stress # Cauchy stress tensor
compute 	D all smd/tlsph_strain_rate
compute 	E all smd/tlsph_strain
compute 	nn all smd/tlsph_num_neighs # number of neighbors for each particle
compute         shape all smd/tlsph_shape
compute         dt_atom all smd/tlsph/dt
compute 	p all smd/plastic/strain
compute 	epsdot all smd/plastic/strain/rate
compute 	S all smd/tlsph/stress # Cauchy stress tensor
compute 	D all smd/tlsph/strain/rate
compute 	E all smd/tlsph/strain
compute 	nn all smd/tlsph/num/neighs # number of neighbors for each particle
compute         shape all smd/tlsph/shape
compute 	damage all smd/damage
dump 		dump_id all custom 100 dump.LAMMPS id type x y z &
			c_S[1] c_S[2] c_S[3] c_S[4] c_S[5] c_S[6] c_S[7] c_nn c_p &
+5 −5
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@@ -124,11 +124,11 @@ fix integration_fix_solids solids smd/integrate_tlsph
####################################################################################################
# SPECIFY TRAJECTORY OUTPUT
####################################################################################################
compute         eint all smd/internal_energy
compute         contact_radius all smd/contact_radius
compute         S solids smd/tlsph_stress
compute         nn water smd/ulsph_num_neighs
compute         epl solids smd/plastic_strain
compute         eint all smd/internal/energy
compute         contact_radius all smd/contact/radius
compute         S solids smd/tlsph/stress
compute         nn water smd/ulsph/num/neighs
compute         epl solids smd/plastic/strain
compute         vol all smd/volume
compute         rho all smd/rho

+4 −4
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@@ -98,9 +98,9 @@ fix integration_fix all smd/integrate_ulsph adjust_radius 1.01 10 15
####################################################################################################
variable        dumpFreq equal 100
compute 	rho all smd/rho
compute 	nn all smd/ulsph_num_neighs # number of neighbors for each particle
compute         contact_radius all smd/contact_radius
compute         surface_coords surface smd/triangle_vertices
compute 	nn all smd/ulsph/num/neighs # number of neighbors for each particle
compute         contact_radius all smd/contact/radius
compute         surface_coords surface smd/triangle/vertices


dump 		dump_id water custom ${dumpFreq} dump.LAMMPS id type x y z vx vy vz &
@@ -116,7 +116,7 @@ dump_modify surf_dump first yes
####################################################################################################
# STATUS OUTPUT
####################################################################################################
compute         eint all smd/internal_energy
compute         eint all smd/internal/energy
compute         alleint all reduce sum c_eint
variable        etot equal pe+ke+c_alleint+f_gfix # total energy of the system
thermo 100
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