Merge branch 'master' into relres-update
This commit is contained in:
@ -1,6 +1,6 @@
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Sphinx
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sphinxcontrib-spelling
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git+https://github.com/akohlmey/sphinx-fortran@parallel-read
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git+git://github.com/akohlmey/sphinx-fortran@parallel-read
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sphinx_tabs
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breathe
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Pygments
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@ -8,8 +8,8 @@ LAMMPS_COMMANDS = ("angle_coeff", "angle_style", "atom_modify", "atom_style",
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"delete_bonds", "dielectric", "dihedral_coeff", "dihedral_style", "dimension",
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"displace_atoms", "dump_modify", "dynamical_matrix", "echo",
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"fix_modify", "group2ndx", "hyper", "if", "improper_coeff",
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"improper_style", "include", "info", "jump", "kim_init", "kim_interactions",
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"kim_param", "kim_query", "kspace_modify", "kspace_style", "label", "lattice",
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"improper_style", "include", "info", "jump", "kim",
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"kspace_modify", "kspace_style", "label", "lattice",
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"log", "mass", "message", "minimize", "min_modify", "min_style", "molecule",
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"ndx2group", "neb", "neb/spin", "neighbor", "neigh_modify", "newton", "next",
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"package", "pair_coeff", "pair_modify", "pair_style", "pair_write",
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@ -509,6 +509,7 @@ cpp
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cpu
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createatoms
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createAtoms
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CreateIDs
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crespi
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Crespi
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Critchley
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@ -598,6 +599,7 @@ Dcut
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de
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dE
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De
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deallocated
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decorrelation
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debye
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Debye
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@ -788,6 +790,7 @@ ees
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eFF
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efield
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effm
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eflag
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eflux
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eg
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Eggebrecht
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@ -2296,6 +2299,7 @@ omegaz
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Omelyan
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omp
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OMP
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oneAPI
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onelevel
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oneway
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onn
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@ -2365,6 +2369,7 @@ parmin
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Parrinello
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Partay
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Particuology
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Pascuet
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pastewka
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Pastewka
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pathangle
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@ -2480,6 +2485,9 @@ Poresag
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pos
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Poschel
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posix
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postfix
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postfixed
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postfixes
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Postma
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Potapkin
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potin
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@ -2524,6 +2532,7 @@ ptm
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PTM
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ptol
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ptr
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PTX
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pu
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purdue
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Purohit
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@ -2536,6 +2545,8 @@ Px
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pxx
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Pxx
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Pxy
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pxy
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pxz
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py
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Py
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pydir
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@ -2547,10 +2558,13 @@ pymol
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pypar
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pythonic
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pytorch
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pyy
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Pyy
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pyz
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pz
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Pz
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Pzz
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pzz
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qbmsst
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qcore
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qdist
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@ -2682,6 +2696,7 @@ rfile
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rg
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Rg
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Rhaphson
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Rhe
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rheological
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rheology
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rhodo
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@ -3338,6 +3353,7 @@ verlet
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Verlet
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versa
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ves
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vflag
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vhi
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vibrational
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Vij
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