Merge branch 'master' into mliap_nn

This commit is contained in:
Axel Kohlmeyer
2021-03-05 22:14:57 -05:00
572 changed files with 26619 additions and 13709 deletions

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@ -8,8 +8,8 @@ LAMMPS_COMMANDS = ("angle_coeff", "angle_style", "atom_modify", "atom_style",
"delete_bonds", "dielectric", "dihedral_coeff", "dihedral_style", "dimension",
"displace_atoms", "dump_modify", "dynamical_matrix", "echo",
"fix_modify", "group2ndx", "hyper", "if", "improper_coeff",
"improper_style", "include", "info", "jump", "kim_init", "kim_interactions",
"kim_param", "kim_query", "kspace_modify", "kspace_style", "label", "lattice",
"improper_style", "include", "info", "jump", "kim",
"kspace_modify", "kspace_style", "label", "lattice",
"log", "mass", "message", "minimize", "min_modify", "min_style", "molecule",
"ndx2group", "neb", "neb/spin", "neighbor", "neigh_modify", "newton", "next",
"package", "pair_coeff", "pair_modify", "pair_style", "pair_write",

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@ -2300,6 +2300,7 @@ omegaz
Omelyan
omp
OMP
oneAPI
onelevel
oneway
onn
@ -2369,6 +2370,7 @@ parmin
Parrinello
Partay
Particuology
Pascuet
pastewka
Pastewka
pathangle
@ -2531,6 +2533,7 @@ ptm
PTM
ptol
ptr
PTX
pu
purdue
Purohit