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Merge branch 'develop' into refactor-find-xxx

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# Conflicts:
#	src/atom.h
#	src/compute_centroid_stress_atom.cpp
This commit is contained in:
Axel Kohlmeyer
2022-08-17 15:48:26 -04:00
parent 6973b80343 20b87d3cd4
commit 92c9614429
104 changed files with 799 additions and 650 deletions
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10
src/compute_centroid_stress_atom.cpp
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@ -38,10 +38,10 @@ enum { NOBIAS, BIAS };
static const char cite_centroid_angle_improper_dihedral[] =
"compute centroid/stress/atom for angles, impropers and dihedrals: doi:10.1103/PhysRevE.99.051301\n\n"
"@article{Surblys2019,\n"
" title = {Application of atomic stress to compute heat flux via molecular dynamics for "
"systems with many-body interactions},\n"
" title = {Application of Atomic Stress to Compute Heat Flux via Molecular\n"
" Dynamics for Systems With Many-Body Interactions},\n"
" author = {Surblys, Donatas and Matsubara, Hiroki and Kikugawa, Gota and Ohara, Taku},\n"
" journal = {Physical Review E},\n"
" journal = {Physical Review~E},\n"
" volume = {99},\n"
" issue = {5},\n"
" pages = {051301},\n"
@ -55,8 +55,8 @@ static const char cite_centroid_shake_rigid[] =
"@article{Surblys2021,\n"
" author = {Surblys, Donatas and Matsubara, Hiroki and Kikugawa, Gota and Ohara, Taku},\n"
" journal = {Journal of Applied Physics},\n"
" title = {Methodology and meaning of computing heat flux via atomic stress in systems with "
"constraint dynamics},\n"
" title = {Methodology and Meaning of Computing Heat Flux via Atomic Stress in Systems with\n"
" Constraint Dynamics},\n"
" volume = {130},\n"
" number = {21},\n"
" pages = {215104},\n"