lammps/doc/html/searchindex.js

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0,94,116,120],colvar:[0,2],com:[2,3,38,64,96,162],comand:61,comb3:2,comb:2,combiant:106,combin:[3,4,19,33,56,58,59,64,69,72,82,83,103,105,106,110,113,114,115,129,130,148,154,155,157,158,160],come:[0,2,3,14,62,63,69,78,79,154,155,157,158,162],comit:162,comm:[0,4,31,92,109],comm_modifi:[2,3,97,103,109,113,118],comm_styl:[2,20,60],comm_world:4,command:[0,1],comment:[2,4,46,66,75,80,92,93,111,112,114,115,121,134,140,141,142,147,148,154,155,156,157,158,162],commit:162,commmand:3,common:[0,1,3,4,5,31,62,72,82,83,118,120,154,155,157],commonli:[3,10,38,39,58,90,119,124,148,155,157],commun:[1,3,4,5,20,58,60,62,68,69,80,110],comp:[76,92,113,145,152,156],compar:[1,3,5,41,44,57,91,92,134,147],comparison:0,compass:[7,21,47,57,83,102],compat:[4,20,50,60,63,64,81,137],compens:[3,113],compil:[5,58,137],complain:4,complement:134,complementari:[105,122],complet:[3,4,20,60,72,92,114],complex:[3,4,10,37,39,42,45,68,82,92,113,137],complic:3,compon:[3,30,31,34,35,36,37,38,39,40,42,43,58,61,62,63,64,68,69,70,72,76,82,91,92,109,113,118,131,132,147,148],componenet:3,composit:[3,68,111],compound:[104,113,114,158],compress:[3,58,70,73],compris:[82,115,145],compton:[41,44],comput:[0,1],computation:[3,80,97],compute_modifi:[2,61,62,69,70],compute_sa:41,compute_xrd:44,concaten:2,concav:82,concentr:[66,75,111,115,141],concept:3,conceptu:[3,62,92,105,134],concern:[3,31,33,67],concis:4,concurr:5,conden:[80,155,157],condens:[3,80,94,107,111,122,158],condit:[2,3,40,41,43,44,58,59,68,70,71,73,76,77,80,110,113,119],conducit:3,conduct:[0,2],confer:[5,137],configur:[1,2,3,5,58,62,72,91,92,94,97,112,134,137,154,155,157,158,162],conflict:162,conform:[3,61,62,74,89,92,113],confus:158,conjuct:109,conjug:113,conjunct:[3,33,45,68,92,98,99,105,109,113,120,122,143,146],connect:[3,33,61,76,92,106,118,153,157],conner:94,connor:94,consecut:[4,45,105,122,126],consequ:[1,3,80,121],conserv:[14,61,67,68,69,75,76,92,108,109,110,118,128,147],consid:[3,30,33,60,61,80,113,145,147,153],consider:3,consist:[3,4,40,45,51,63,67,69,70,73,74,75,92,94,97,103,105,113,117,131,132,134,137,140,141,145,147],consistent_fe_initi:59,constant:0,constantli:64,constitu:[3,81,82,103,145],constrain:[3,64,67,76,77,91,113],constraint:[20,40,43,60,64,76,77,81,91,132],construct:[3,29,30,31,37,39,41,42,44,62,69,74,75,82,108,137,153,154],constructor:4,consult:5,consum:1,contact:[0,2,106,112,114,117,118,145],contain:[0,1,2,3,4,20,33,36,41,42,44,45,46,57,58,59,60,63,66,68,71,73,75,80,82,92,93,94,97,104,105,108,111,112,113,115,134,137,140,141,142,144,148,154,155,156,157,158,162],context:[3,5,160],contibut:30,contin:5,continu:[0,2,3,20,60,61,62,63,64,67,69,70,73,78,79,80,82,97,109,124,127,145,156],continuum:[3,59,80],contour_integr:59,contract:[62,69],contrain:76,contrast:[1,3,160],contrib:80,contribut:[3,30,33,34,35,36,40,42,43,62,68,76,91,92,109,111,113,131,132,137,147,162],control:[2,3,4,5,12,14,20,33,36,42,48,58,59,60,62],control_typ:59,convect:36,conveni:[3,14,148,162],convent:[14,50,55,57,74,111,113],converg:[3,20,58,60,61,62,70,73,74,76,91,92,104,105,122,147],convers:[42,58,105,106,107,113,122,126,130,143],convert:[2,3,6,7,9,13,17,18,19,36,45,47,58,83,84,88,89,92,93,111,137,155,157,161],convex:82,cool:64,coord:[2,3,4,37,39,71,81,92],coordb:147,coordbb:147,coordiat:91,coordin:[1,3,4,20,33,34,35,42,45,58,60,61,62,64,69,71,76,77,79,80,91,92,93,94,96,112,147],coords:147,copi:[0,4,58,80,92,162],copper:161,coprocessor:[1,5],core:[0,1],coreshel:3,coreshell:[3,99,105,107],cornel:[3,46],corner:[3,58,82,162],corpor:5,corr:104,correct:[3,4,33,46,58,64,69,73,81,82,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,111,112,113,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162],correction_max_iter:59,correctli:[4,69,76,82,92,107,132,137,162],correl:[2,3,36,37,42,67,72],correpond:66,correspond:[1,2,3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,21,22,23,24,25,26,27,28,29,30,33,40,41,42,44,46,47,48,49,50,51,52,53,54,55,56,58,62,63,64,66,68,69,70,71,72,75,76,81,82,83,84,85,87,88,89,90,92,93,94,95,98,99,100,101,102,103,104,105,108,109,111,112,113,114,115,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,134,135,137,139,141,142,143,144,145,146,147,148,149,154,155,156,157,158,159,160,161],correspondingli:[131,132],cosin:[2,3],cosineshift:12,cossq:2,cost:[1,3,4,20,41,43,44,58,60,69,75,80,105,122,126,137,154],costheta0:[154,155,157,158],costheta:144,costli:[4,5],coul:[2,3,5,19,22,23,33,46,91],could:[2,3,4,20,33,35,36,40,58,60,63,73,80,81,82,91,94,116,120],coulomb:[3,43,91,98,99,100,101,102,104,105,106,107,108,113,118,119,122,126,130,133,143,146,147,157,158,160],coulommb:3,count:[1,3,4,20,36,46,60,69,76,82,91,92,116,120],counteract:63,counterbal:64,counterbalanc:14,counterclockwis:46,coupl:0,couple:[3,4],cours:[5,67,74,81,131,149],cov:147,coval:[3,14,113,134,147],cover:[3,59,68,113],cpp:[1,3,4,33,76],cpu:[1,5],cpuinfo:5,cr2:44,cr3:44,creat:[0,1,2,3,4,20,36,40,41,45,58,59,60,61,62,66,69,70,71,72,74,80,92,94,97,104,111,112,130,139,140,141,144,147,154,155,156,157,158,162],create_atom:[2,3,20,36],create_bond:2,create_box:[2,3,20,36,45,62,69,153],create_elementset:59,create_faceset:59,create_nodeset:59,createatom:0,creation:45,criteria:[58,61,91],criterion:[20,45,60,61,91,92,104,113,118,147],critic:[3,25,26,80,91],cross:[5,34,58,92,101,109,111,119,120,122,124,126,144,146,155,157,161],crossov:1,crozier:0,crucial:73,crystal:[3,5,30,31,39,71,79],crystallin:[3,156],crystallogr:[41,44],crystallographi:[41,44],cs1:44,cs_chunk:3,csanyi:[42,148],cscl:134,csequ:3,csh:[4,5],cshrc:4,csic:[112,154,155,157,158],csinfo:3,csisi:[112,154,155,157,158],csld:2,cst:111,cstherm:3,csvr:[2,3],ctcm:[93,111],ctype:4,cu1:44,cu2:44,cu3au:134,cube:[3,82],cubes:[20,60],cubic:[2,39,68,71,111],cuda:1,cuh:97,cummul:[3,61,120],cumul:[3,69,70,92],curli:2,currenlti:63,current:[0,1,3,4,5,20,31,33,43,58,59,60,61,62,63,64,69,74,75,76,77,80,81,91,92,97,104,108,111,113,114,118,121,131,132,134,135,136,144,149,155,157,162],curv:[3,45],curvatur:[117,145,161],custom:[0,2,3,4,34,35,36,43,58,61,62,69,70,73,91,94,116,120],cut:[1,2,3,5,20],cuthi:71,cutinn:[131,132],cutlo:71,cutmax:144,cutoff1:[102,108,122,126,130,133,143,146],cutoff2:[98,99,100,102,107,108,122,126,130,133,143,146],cutoff:[3,5,22,23,29,30,31,33,37,39,42,61,66,71,73,81,82,91,93,94,95,96,97,98,99,100,101,102,103,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161],cutoffa:112,cutoffc:112,cuu3:111,cval:44,cvar:63,cvff:[2,5],cwiggl:81,cyan:[2,58],cycl:[69,70],cyclic:46,cylind:[58,82],cylindr:3,cyrot:97,d3q15:68,d3q19:68,d_e:80,daan:79,damag:2,damp:[3,69,70,73,91,92,98,99,101,105,108,113,118,122,130,143,146],dampflag:118,danger:109,darden:108,darken:58,dash:118,dat:[3,36,59],data2xmovi:0,data:[1,2],databas:0,date:[0,3],datum:3,davenport:133,davi:81,david:[155,157],daw:[111,144],dcd:[3,58,72],deactiv:130,debug:[3,4,41,44,45,72],deby:2,decai:[37,105,161],decid:[3,5,162],decod:58,decompos:[33,148],decomposit:[59,72],decoupl:3,decreas:[5,61,64],dedic:5,defect:[3,30,137],defgrad:2,defin:[2,3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,65,66,68,69,70,71,72,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,94,95,96,98,99,100,101,102,103,105,106,108,109,110,112,113,115,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,132,133,137,138,139,140,141,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161],definit:[2,3,42,63,65,70,81,97,103,110,113,144,148],deform:[2,3,43,62,69,131,132],deg2theta:44,degre:[3,6,7,9,13,14,17,18,19,37,39,40,44,45,46,47,49,50,55,56,58,61,69,70,72,74,76,79,83,84,88,89,90,91,108,111,120],delai:3,delet:[2,29,61,69,153,162],delete_atom:[2,45],delete_bond:[2,21,22,23,24,25,26,27,28,29],delete_el:59,delimit:75,dellago:[3,64],deloc:[113,147],delr:134,delta:2,delta_1:97,delta_3:97,delta_7:97,delta_ij:[134,144],delta_pi:97,delta_r:144,delta_sigma:97,deltah_f:66,demo:4,demonstr:[73,134],dendrim:120,denniston:68,denot:[41,64,105,119],dens:[61,75,113],densiti:[3,20,42,45,59,60,68,80,81,93,94,97,111,134,135,136,140,141,144,145,147,150,151,152],depart:0,departur:73,depend:[1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,20,21,22,23,24,25,26,27,28,29,30,37,40,42,45,46,47,48,49,50,51,52,53,54,55,57,58,60,62,66,68,69,70,71,75,76,78,80,81,82,83,84,85,87,88,89,90,91,93,94,95,96,97,98,99,100,101,102,103,104,105,106,108,109,111,112,113,114,115,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,134,135,137,138,139,140,141,142,143,144,145,146,147,148,149,154,155,156,157,158,159,160,161],dependend:3,deposit:[2,69,76],depth:[27,58,80,115,117,145],der:[33,103,104,130,160],deriv:[3,33,42,62,63,64,69,70,71,78,79,80,81,82,94,97,103,108,113,114,119,124,128,129,134,137,160],derjagin:160,derlet:71,descib:58,describ:[0,1,2,3,4,5,20,30,31,41,42,43,44,45,51,54,60,61,62,63,66,67,68,69,70,71,72,73,75,78,79,81,91,92,94,96,98,99,101,102,103,104,105,108,111,113,114,115,117,118,119,122,123,124,125,126,127,128,129,130,131,132,133,134,137,138,140,141,144,145,146,147,148,149,153,154,155,156,157,158,159,160,161,162],descript:[2,3,4],descriptor:42,design:[0,3,4,41,44,59,61,69,71,80,95,96,101,105,107,113,130,131,132,135,136,144],desir:[2,3,4,5,36,40,43,45,62,63,67,69,76,91,92,109,111,120,131,132,154,155,157],desktop:[3,58],destabil:97,destre:89,destroi:4,detail:[1,2,3,4,5,20,35,36,40,42,43,45,57,58,59,60,61,62,63,64,67,68,69,70,73,76,79,80,91,93,94,96,97,100,101,102,103,104,105,108,109,113,114,117,118,119,120,122,123,124,125,126,127,128,129,130,131,132,133,134,138,140,141,145,147,148,149,159,160,162],detect:[2,37,92,104,120,121],determin:[1,3,5,27,33,40,41,43,44,45,58,60,62,66,69,71,72,73,74,75,81,82,94,100,104,108,111,115,116,118,126,134,137,141,145,147,153,160],devan:146,devanathan:157,develop:[0,3,4,5,63,70,73,94,97,113,136,137,147,158],deviat:[70,71,116],devic:1,devin:104,devis:136,dfactor:58,dft:137,dhug:73,dhugoniot:73,dia:134,diag:75,diagnost:[2,5,61,75],diagon:[3,42,43,62,69],diagonalstyl:148,diagram:[20,41,44,57,60,72],diallo:120,diam:58,diamet:[3,45,58,103,117,118,124,145,160],diamond:[113,134],dick:3,dicken:63,did:[91,109,111,118,155,157],diel:2,dielectr:[2,101,105,106,107,122,126,130,143],diff:[3,5],differ:[1,2,3,4,5,20,29,30,33,37,42,45,57,58,60,61,62,63,64,67,68,69,71,72,73,76,77,78,79,80,81,82,83,92,93,94,97,100,101,103,104,109,110,111,113,115,117,118,119,122,123,125,126,133,134,135,136,138,139,140,141,142,144,145,146,147,148,149,154,155,157,158,160],differenti:[1,3,14,75,105,144,156],difficult:[62,63,72,120],difficulti:[37,39,76],diffract:[41,44],diffraction:[41,44],diffus:0,diffuse:3,digit:[2,137],dihedr:[0,2,5,29,37,39,40,42,43,45,46,47,48,49,50,51,52,53,54,55,56,57,61,74,84,85,86,88,91,94,97,101],dihedral_coeff:[2,46,47,48,49,50,51,52,53,54,55,56,57],dihedral_cosine_shift_exp:12,dihedral_styl:0,dihydrid:113,dij:76,dilat:[2,62,69,70],dim:[45,134],dimens:[1,2,3,20,36,43,45,58,60,62,68,69,70,73,81,92],dimension:[37,40,41,42,44,80,92,144],dimensionless:[38,42,63,80,148,160],dimer:[3,134],dimstr:[20,60],dintel_offload_noaffinity:5,dipol:[0,2],dipolar:14,dipole:108,dir:[1,4,71,73,144],dirac:42,direc:144,direct:[2,3,5,14,30,39,41,42,44,45,46,58,68,70,71,73,78,79,80,81,82,91,92,109,110,118,132],directli:[3,4,33,42,45,58,63,68,75,82,93,94,98,99,100,105,108,111,113,122,126,143,146,153],directori:[0,1,2,3,4,5,63,78,79,92,93,94,97,104,105,111,112,114,130,134,135,136,137,142,144,147,148,154,155,156,157,158],disabl:[5,80,121],disadvantag:[3,60],disallow:69,discard:[2,20,60,82],discontinu:[91,128],discourag:134,discret:[3,58,63,68],discuss:[0,1,2],disk:[3,37],disloc:[30,137],disord:[30,137],disp:[0,2],dispar:145,disperion:[108,126],dispers:[3,100,108,126,131,158],displac:[2,3,38,62,69,71,118],displace_atom:2,displai:[4,57,58],disregard:137,dissip:[3,32,65,67,78,79,109,110,118,131,132],dist:[3,36,72,74,153],distanc:[2,3,6,7,21,22,23,24,25,26,27,28,29,31,34,35,37,38,39,41,42,45,47,58,61,62,64,68,69,70,71,73,74,76,77,79,80,81,82,83],distinct:[3,145],distinguish:[3,42,113],distort:93,distrbut:93,distribut:[0,2,3,4,20,33,42,57,60,67,68,69,93,97,105,111,112,114,134,135,136,142,144,145,154,155,156,157,158],distro:144,ditto:161,div:5,diverg:[79,94],divid:[3,5,20,36,40,43,57,60,71,91,92,114,147,158],divis:[3,56,68,97,130],dl_poly:3,dlammps_ffmpeg:58,dlammps_gzip:58,dlammps_jpeg:58,dlammps_memalign:5,dlammps_png:58,dlm:69,dlmp_intel_offload:5,dlopen:3,dlvo:[103,160],dm_lb:68,doc:[0,1,2,3,4,33,35,38,40,43,45,57,58,63,69,82,91,92,93,94,96,104,105,111,112,114,120,134,135,136,142,144,148,154,155,157,158,162],docuement:145,doe:[0,1,2,3,4,20,29,30,33,36,41,44,45,46,57,58,59,60,61,62,63,64,66,67,68,69,80,81,82,84,85,86,88,89,92,93,94,95,96,97,100,101,102,103,104,105,106,108,109,111,112,113,115,116,117,118,119,121,124,125,127,128,129,131,132,134,135,136,137,140,141,144,145,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162],doesn:[45,94,104,112,154,155,156,157,158],dof:40,doi:[3,71],domain:[3,20,41,44,58,60,62,68,69,72,80,81,92],domin:[1,113],don:[0,5,82,134,147,162],donald:63,done:[1,3,20,45,56,58,59,60,61,62,63,66,69,72,76,78,79,91,92,94,100,111,126,132,133,134,140,141,153,162],donor:120,dot:43,doti:[97,144],doubl:[1,2,3,4,5,33,46,82,97,114,119,137],dover:59,down:[3,4,62,113,147],download:4,downsid:3,dpd:[2,3],dpdtheta:[32,110],dpdtheta_i:[65,66],dr_ewald:41,drag:[2,3,36,69,70,77],dragforc:68,drai:[58,73],drain:91,dramat:[61,62,69,147],drautz:97,draw:58,drawn:[58,67],drayleigh:73,dreid:[2,3],dreiding:0,drfourth:38,drho:[93,111,140,141],drift:[3,38,64,67],drive:[4,62,69,71,92],driven:[3,51],driver:3,drop:109,drsquar:38,drude:[0,2],dsf:2,dsmc:2,dt_collis:68,dt_lb:68,dt_md:68,dtqm:73,dudarev:44,due:[1,3,5,29,30,34,35,38,41,42,43,44,45,58,61,62,67,68,69,70,71,74,78,79,80,81,82,91,92,106,109,110,111,116,117,131,132,144,145,146,153,155,157,160,161],duffi:80,dullweb:69,dummi:[14,156],dump:[0,1,2],dump_modifi:[2,3,58],dunbrack:[3,6,46,101],duplic:[2,20,60,71],durat:[57,80,118],dure:[2,3,5,20,33,46,59,60,61,62,63,64,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,91,92,109,130,137,139,140,141],dvlo:160,dvx:3,dx_lb:68,dy3:44,dyanam:3,dynam:[0,2,3,4,5,20,32,38,45,58,59,60,61,63,65,67,69,70,72,73,74,78,79,80,91,92,109,110,113,131,132,152],dynamo:[93,111,134],dyre:127,e28637:14,e_1:97,e_2:97,e_a:75,e_b:114,e_ee:113,e_hbond:120,e_i:[3,97,114],e_j:[3,97],e_k:97,e_ke:113,e_kl:3,e_lj:[94,108],e_n:[63,97],e_ne:113,e_nn:113,e_pr:113,e_rebo:94,e_torsion:94,e_tot:137,e_vol:137,eaa:83,eaat:47,each:[0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,33,34,35,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,66,67,68,69,70,71,72,75,76,77,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,1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2,157],essential:70,essex:14,establish:33,estim:[1,3,20,30,36,43,59,60,75],esub:134,eta:[3,68,69,73,112,114,117,144,156,158],eta_dot:69,eta_ij:144,eta_ji:114,etap:69,etap_dot:69,etc:[1,2,3,4,5,29,34,35,36,43,45,58,59,67,69,80,82,91,92,111,112,130,132,137,154,155,157,158],etol:[91,92],etot0:73,etot:[3,43,73],eu2:44,eu3:44,euler:[75,91,92],eulerian:59,europhi:68,evalu:[2,4,33,36,42,45,46,58,59,63,67,75,81,91,137,140,141,144,147],evanseck:[3,6,46,101],evapor:2,evaul:91,even:[3,5,20,30,56,60,62,64,69,80,81,82,91,92,96,113,114,118,145,158],evenli:[20,43,60,68],event:[2,3,69,80],eventu:3,ever:29,everaer:[103,117,145],everi:[0,1,2,3,4,5,20,36,58,59,60,61,62,63,64,68,69,70,71,73,75,76,80,92,109,130,147,162],everyth:162,everywher:124,eviri:113,evolut:[64,68,72],evolv:[68,72],ewald:[2,3,41,43,91,98,99,100,105,108,113,122,126,143,146],ewald_disp:108,exact:[20,60,61,67,80],exactli:[3,20,36,45,60,67,73,109,111,118,131,140,141],examin:[3,61,75],exampl:[0,1,2],exce:[3,5,20,60,62,69,91],exceed:[20,60,69],excel:113,except:[1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,20,21,22,23,24,25,26,27,28,29,34,35,40,43,45,46,47,48,49,50,51,52,53,54,55,57,60,62,69,70,72,76,80,83,84,85,87,88,89,90,92,93,94,95,98,99,100,101,102,103,104,105,107,108,109,111,112,113,114,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,132,135,139,142,143,145,146,149,154,155,156,157,158,159,160,161],excess:113,exchang:[2,3,59,64,80,113],excit:113,excite:113,exclud:[3,5,40,42,91,118,131,132,153],exclus:[1,5,33,46,104,137],excurs:69,execut:[1,2,3,4,58],exempl:147,exemplari:67,exemplifi:113,exert:[3,82],exhaust:59,exhibit:[37,64,69,113],exist:[3,4,30,45,57,58,62,83,84,85,86,88,110,153,162],exit:[2,4,20,60],exp6:2,exp:2,expand:2,expans:[42,56],expect:[1,5,20,60,71,73,134,137],expens:[3,71,80],experi:[3,74,92,109],experienc:[3,5],explain:[1,3,4,20,31,58,60,62,69,71,92,96,111,147,149,162],explan:[3,42,71],explic:138,explicit:[3,4,33,75,94,97,101,111,113,121,131,162],explicitli:[3,5,6,7,8,9,10,11,12,13,14,15,16,17,18,21,22,23,24,25,26,27,28,29,40,45,46,47,48,49,50,51,52,53,54,55,67,69,70,73,76,80,83,84,85,87,88,89,90,93,94,95,98,99,100,101,102,103,104,105,106,108,109,111,112,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,135,137,139,140,141,142,143,145,146,149,150,151,152,154,155,156,157,158,159,160,161,162],explictli:5,exploit:72,explor:[41,44],expon:[75,111,115,117,120,130,138,146],exponenti:[33,75,115,144,154,158,161],expos:4,exposit:[59,109],express:[3,42,45,62,71,75,80,97,111,113,124,134,147,148],expressiont:97,extend:[0,3],extens:[3,5,22,23,28,33,36,63,64,69,70,71,74,78,79,80,81,82,117,134,137,145,148],extent:[1,20,22,60,94],exterior:[3,82],extern:[2,33,58,62,67,68,69,70,80,91,135,136],extra:[3,4,5,20,23,40,41,43,44,45,60,69,73,91,108,118,134],extract:[3,4,19,33,92,105,114,134,148],extract_atom:4,extract_comput:4,extract_fix:4,extract_glob:4,extract_vari:4,extrapol:1,extrem:[1,3,58,62,69,79,113,156],extrema:130,extreme:113,extrins:59,f_1:3,f_a:[155,156,157],f_c:156,f_f:157,f_fix_id:73,f_harm:79,f_i:[14,144],f_id:[3,63],f_ij:144,f_int:78,f_j:14,f_jj:36,f_k:144,f_langevin:80,f_max:73,f_r:[155,156,157],f_sigma:97,f_solid:79,f_ss:3,face:[3,81,82,117,134,145],facil:0,facilit:3,fact:[3,5,79,118,147],factor:[1,3,9,13,17,18,19,20,23,24,33,36,41,42,44,46,54,58,60,62,64,68,69,70,72,74,75,76,81,82,88,94,97,98,99,101,105,106,107,109,110,113,118,121,122,134,137,140,141,142,143,146,149,154],fail:[4,62,91,92,107],fairli:[4,162],faken:31,fall:3,fals:147,famili:158,familiar:[0,4,162],fan:144,far:[3,60,62,69,71,74,81,84,88,92],farrel:[155,157],fashion:[3,20,45,60,63,69,70,73,79,80,81,92,131],fast:[3,5,63,73,75,131,132,137],faster:[1,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,20,21,22,23,24,25,26,27,28,29,38,40,46,47,48,49,50,51,52,53,54,55,60,69,70,76,78,80,83,84,85,87,88,89,90,93,94,95,97,98,99,100,101,102,103,104,105,108,109,111,112,114,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,135,139,142,143,145,146,149,154,155,156,157,158,159,160,161],fastest:[1,3,80],fault:30,fava:117,favor:61,fcc:[2,3,30,31,36,39],fcold:64,fdt:[2,65,66,75],fdti:33,fe2:44,fe3:44,fe_md_boundari:59,featur:[0,3,4,42,58,61,67,72,82,91,162],fecr:111,feedback:63,feel:[71,82,92],fehlberg:75,felling:136,felt:82,fene:[2,3,5],fennel:[105,122],fep:[0,2],ferguson:[3,46],fermi:[1,157],fermion:113,fernando:133,few:[1,3,4,64,69,76,91,92,94,147],fewer:[1,4,5],feynman:72,ffield:[104,114,147],fflag1:58,fflag2:58,ffmpeg:58,ffplai:58,fft:[1,4,43],fhot:64,ficiti:153,fictiti:[3,72,74,105,122,126,153],field:[0,2],fifth:[3,115,142],figshar:71,figur:[1,5,73,162],fij:108,file0:71,file1:[4,66,71],file2:[4,66],file:[0,1,2],filenam:[5,20,58,59,60,66,71,75,80,92,93,94,97,105,111,112,114,115,134,135,136,140,141,142,144,147,148,154,155,156,157,158],fill:[45,58,80,97,137,162],filter:59,finchham:[3,107],find:[0,3,4,5,31,33,61,62,63,66,71,74,91,92,105,122,126,134,140,141,147,162],fine:[5,79,162],finer:[42,45],finger:45,finish:[3,4,20,60],finit:0,finni:111,fire:[2,91,92],first:[0,1,2,3,4,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Documentation","5. Accelerating LAMMPS performance","3. Commands","6. How-to discussions","11. Python interface to LAMMPS","5.USER-INTEL package","angle_style charmm command","angle_style class2 command","angle_style cosine command","angle_style cosine/delta command","angle_style cosine/periodic command","angle_style cosine/shift command","angle_style cosine/shift/exp command","angle_style cosine/squared command","angle_style dipole command","angle_style fourier command","angle_style fourier/simple command","angle_style harmonic command","angle_style quartic command","angle_style sdk command","balance command","bond_style class2 command","bond_style fene command","bond_style fene/expand command","bond_style harmonic command","bond_style harmonic/shift command","bond_style harmonic/shift/cut command","bond_style morse command","bond_style nonlinear command","bond_style quartic command","compute centro/atom command","compute cna/atom command","compute dpd command","compute fep command","compute gyration command","compute gyration/chunk command","compute heat/flux command","compute hexorder/atom command","compute msd/nongauss command","compute orientorder/atom command","compute pressure command","compute saed command","compute sna/atom command","compute stress/atom command","compute xrd command","create_atoms command","dihedral_style charmm command","dihedral_style class2 command","dihedral_style cosine/shift/exp command","dihedral_style fourier command","dihedral_style harmonic command","dihedral_style helix command","dihedral_style multi/harmonic command","dihedral_style nharmonic command","dihedral_style opls command","dihedral_style quadratic command","dihedral_style spherical command","dihedral_style command","dump image command","fix atc command","fix balance command","fix bond/swap command","fix box/relax command","fix controller command","fix ehex command","fix eos/cv command","fix eos/table/rx command","fix gld command","fix lb/fluid command","fix nvt command","fix nphug command","fix orient/fcc command","fix pimd command","fix qbmsst command","fix restrain command","fix rx command","fix shake command","fix spring/rg command","fix ti/rs command","fix ti/spring command","fix ttm command","fix wall/lj93 command","fix wall/region command","improper_style class2 command","improper_style cossq command","improper_style cvff command","improper_style distance command","improper_style fourier command","improper_style harmonic command","improper_style ring command","improper_style umbrella command","minimize command","neb command","pair_style adp command","pair_style airebo command","pair_style beck command","pair_style body command","pair_style bop command","pair_style born command","pair_style buck command","pair_style buck/long/coul/long command","pair_style lj/charmm/coul/charmm command","pair_style lj/class2 command","pair_style colloid command","pair_style comb command","pair_style coul/cut command","pair_style coul/diel command","pair_style born/coul/long/cs command","pair_style lj/cut/dipole/cut command","pair_style dpd command","pair_style dpd/fdt command","pair_style eam command","pair_style edip command","pair_style eff/cut command","pair_style eim command","pair_style exp6/rx command","pair_style gauss command","pair_style gayberne command","pair_style gran/hooke command","pair_style lj/gromacs command","pair_style hbond/dreiding/lj command","pair_style list command","pair_style lj/cut command","pair_style lj96/cut command","pair_style lj/cubic command","pair_style lj/expand command","pair_style lj/long/coul/long command","pair_style lj/sf command","pair_style lj/smooth command","pair_style lj/smooth/linear command","pair_style lj/cut/soft command","pair_style lubricate command","pair_style lubricateU command","pair_style lj/mdf command","pair_style meam command","pair_style meam/spline","pair_style meam/sw/spline","pair_style mgpt command","pair_style mie/cut command","pair_style morse command","pair_style multi/lucy command","pair_style multi/lucy/rx command","pair_style nb3b/harmonic command","pair_style nm/cut command","pair_style polymorphic command","pair_style resquared command","pair_style lj/sdk command","pair_style smtbq command","pair_style snap command","pair_style soft command","pair_style sph/idealgas command","pair_style sph/taitwater command","pair_style sph/taitwater/morris command","pair_style srp command","pair_style sw command","pair_style tersoff command","pair_style tersoff/mod command","pair_style tersoff/zbl command","pair_style vashishta command","pair_style yukawa command","pair_style yukawa/colloid command","pair_style zbl command","LAMMPS GitHub tutorial"],titleterms:{"default":[30,33,37,38,39,41,42,44,45,57,58,59,62,67,68,69,70,72,73,78,79,81,97,113,131,132,137,153],"long":[98,99,100,101,102,105,107,108,122,126,130,143,146],acceler:1,adiabat:3,adp:93,airebo:94,alloi:111,amber:3,angle_styl:[2,6,7,8,9,10,11,12,13,14,15,16,17,18,19],arrai:3,aspher:3,atc:59,atom:[3,30,31,37,39,42,43],aug:0,balanc:[20,60],barostat:3,bcc:71,beck:95,between:3,bodi:[3,96],bond:61,bond_styl:[2,21,22,23,24,25,26,27,28,29],bop:97,born:[98,107],box:[3,62],buck:[99,100,107,133],build:4,calcul:3,categori:2,centro:30,charmm:[3,6,46,101,130],chunk:[3,35],class2:[7,21,47,83,102],cna:31,code:3,coeffici:3,colloid:[81,103,160],comb3:104,comb:104,command:[2,3,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161],comparison:1,compos:3,comput:[2,3,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44],conduct:3,constant:3,control:63,core:3,cosin:[8,9,10,11,12,13,48],cossq:84,coul:[98,99,100,101,102,105,106,107,119,122,126,130,143,146],coupl:3,create_atom:45,cubic:124,cut:[26,99,102,105,108,113,116,122,123,130,138,143],cvff:85,data:3,deby:[105,122],delta:9,descript:[6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161],diel:106,diffus:3,dihedral_styl:[2,46,47,48,49,50,51,52,53,54,55,56,57],dipol:[3,14,108],discuss:3,disp:3,distanc:86,document:0,dpd:[32,109,110],dreid:120,dreiding:3,drude:3,dsf:[105,122],dump:[3,58],eam:111,edip:112,eff:113,ehex:64,eim:114,elastic:3,energi:110,exampl:[3,4,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161],exp6:115,exp:[12,48],expand:[23,125],extend:4,fcc:71,fdt:110,fene:[22,23],fep:33,field:3,file:3,finit:3,fix:[2,3,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82],fix_modifi:[59,60,62,63,64,68,69,70,71,73,74,76,77,78,79,80,81,82],flow:3,fluid:68,flux:36,forc:3,fourier:[15,16,49,87],from:[3,4],gauss:116,gaybern:117,gener:[1,3],github:162,gld:67,global:3,gpu:[95,98,99,101,102,103,105,108,109,111,116,117,119,122,123,124,125,138,139,145,146,149,154,155,156,157,159,160,161],gran:118,granular:3,gromac:119,gyrat:[34,35],harmon:[17,24,25,26,50,52,81,88,142],hbond:120,heat:36,helix:51,hertz:118,hexord:37,histori:118,hook:118,how:3,idealga:150,imag:58,implicit:101,improper_styl:[2,83,84,85,86,87,88,89,90],indice:0,individu:2,induc:3,info:[0,59,60,62,63,64,68,69,70,71,73,74,76,77,78,79,80,81,82],input:[2,3],install:4,integr:3,intel:[5,6,17,22,24,46,50,54,69,85,88,99,101,117,122,154,155],interfac:[3,4],kspace:2,kspace_styl:3,lammps:[0,1,2,3,4,162],lennard:133,librari:[3,4],linear:[129,139],list:[2,121],lj1043:81,lj126:81,lj93:81,lj96:123,local:3,lubric:131,lubricateu:132,luci:[140,141],mdf:133,meam:[134,135,136],measur:1,mgpt:137,mie:138,minim:[59,60,62,63,64,68,69,70,71,73,74,76,77,78,79,80,81,82,91],mod:[80,156],model:3,morri:152,mors:[27,94,120,139],movi:58,mpi:4,msd:38,msm:[98,99,101,105,122],multi:[3,52,140,141],multipl:3,nb3b:142,neb:92,nemd:3,nharmon:53,non:3,nongauss:38,nonlinear:28,nph:69,nphug:70,npt:69,nvt:69,omp:[6,7,8,9,10,11,12,13,14,15,16,17,18,21,22,23,24,25,26,27,28,29,46,47,48,49,50,51,52,53,54,55,69,70,83,84,85,87,88,89,90,93,94,95,98,99,100,101,102,103,104,105,106,108,109,111,114,116,117,118,119,120,122,123,124,125,126,127,128,129,130,131,135,136,139,142,143,145,146,149,154,155,156,157,158,159,160,161],opl:54,opt:[101,111,122,126,139],optim:1,option:3,orient:71,orientord:39,orthogon:3,other:3,output:[3,59,60,62,63,64,68,69,70,71,73,74,76,77,78,79,80,81,82],overview:4,packag:[1,5],pair:3,pair_styl:[2,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,13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