Merge branch 'master' into relres-update

This commit is contained in:
Axel Kohlmeyer
2021-02-28 23:20:44 -05:00
1094 changed files with 35622 additions and 20823 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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@ -509,6 +509,7 @@ cpp
cpu
createatoms
createAtoms
CreateIDs
crespi
Crespi
Critchley
@ -598,6 +599,7 @@ Dcut
de
dE
De
deallocated
decorrelation
debye
Debye
@ -788,6 +790,7 @@ ees
eFF
efield
effm
eflag
eflux
eg
Eggebrecht
@ -2296,6 +2299,7 @@ omegaz
Omelyan
omp
OMP
oneAPI
onelevel
oneway
onn
@ -2365,6 +2369,7 @@ parmin
Parrinello
Partay
Particuology
Pascuet
pastewka
Pastewka
pathangle
@ -2480,6 +2485,9 @@ Poresag
pos
Poschel
posix
postfix
postfixed
postfixes
Postma
Potapkin
potin
@ -2524,6 +2532,7 @@ ptm
PTM
ptol
ptr
PTX
pu
purdue
Purohit
@ -2536,6 +2545,8 @@ Px
pxx
Pxx
Pxy
pxy
pxz
py
Py
pydir
@ -2547,10 +2558,13 @@ pymol
pypar
pythonic
pytorch
pyy
Pyy
pyz
pz
Pz
Pzz
pzz
qbmsst
qcore
qdist
@ -2682,6 +2696,7 @@ rfile
rg
Rg
Rhaphson
Rhe
rheological
rheology
rhodo
@ -3338,6 +3353,7 @@ verlet
Verlet
versa
ves
vflag
vhi
vibrational
Vij