Lines Matching refs:numat
21 subroutine axis(numat,nat,xyz,aa,bb,cc) argument
24 dimension xyz(3,numat)
25 integer nat(numat)
29 dimension x(numat),y(numat),z(numat),coord(3,numat)
55 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr
57 do i=1,numat
68 do i=1,numat
85 do i=1,numat
115 subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw) argument
118 dimension xyz(3,numat)
119 integer nat(numat)
123 dimension x(numat),y(numat),z(numat),coord(3,numat)
149 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr
151 do i=1,numat
162 do i=1,numat
179 do i=1,numat
206 subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec) argument
209 dimension xyz(3,numat)
210 integer nat(numat)
214 dimension x(numat),y(numat),z(numat),coord(3,numat)
240 coord(1:3,1:numat)=xyz(1:3,1:numat)*bohr
242 do i=1,numat
253 do i=1,numat
270 do i=1,numat
305 subroutine axis3(mode,numat,nat,coord,coordout,eig) argument
308 integer, intent(in) :: numat,nat(numat),mode local
309 real(wp),intent(in) :: coord(3,numat)
310 real(wp),intent(out) :: coordout(3,numat),eig(3)
314 real(wp) :: x(numat),y(numat),z(numat),coordtmp(3,numat)
315 real(wp) :: coord1(3,numat)
323 do i=1,numat
339 do i=1,numat
352 do i=1,numat
374 do i=1,numat
384 do i=1,numat