atomes 1.1.14
atomes: an atomic scale modeling tool box
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Primitive and strong ring statistics. More...
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Functions/Subroutines | |
integer function | primitive_rings () |
subroutine | primitive_ring_search_steps (rid) |
subroutine | dijkstra (node, cpt, vpt, que, matdis) |
recursive subroutine | spath_rec (pth, node, length, lngth, matdis, cpt, vpt, npri, pordr) |
integer function | real_atom_id (ind, nats) |
subroutine | prim_ring (fndtab, node, pth, lgth, npt, cpt, vpt, qrng, pord, matdis, rsaved, osaved, trin, indp, reslp) |
recursive subroutine | pair_search (goal, at1, at2, lg, maxm, minm, cpt, vpt, chk) |
subroutine | strong_rings (fndtab, rlgth, rprobe, toprim, primto, asring, osring, trng, indt, resl, cpt, vpt) |
recursive subroutine | search_strong_rings (dlow, idx, idy, dlgtr, lgtr, srgoal, frgoal, toter, cpt, vpt, chks) |
recursive subroutine | path_search (at0, at1, at2, idt1, idt2, dmax, dmed, daring, npath, dlpath, stpath, acring, tpath, cutpath, cpt, vpt, chk, chks, sring) |
subroutine | shortcut_ring (ida, idb, idc, dlt, tabab, sring) |
subroutine | testabab (valtest, lgtest, primt) |
subroutine | testhomo (valtest, lgtest, primt) |
subroutine | save_dijkstra_ring (tab, tles, rsaved, osaved, tring, indt, resl) |
Primitive and strong ring statistics.
Definition in file rings-primitive.F90.
subroutine dijkstra | ( | integer, intent(in) | node, |
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
integer, dimension(nna), intent(inout) | que, | ||
integer, dimension(nna), intent(inout) | matdis ) |
Definition at line 739 of file rings-primitive.F90.
recursive subroutine pair_search | ( | logical, intent(inout) | goal, |
integer, intent(in) | at1, | ||
integer, intent(in) | at2, | ||
integer, intent(in) | lg, | ||
integer, intent(in) | maxm, | ||
integer, intent(in) | minm, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
logical, dimension(nna), intent(inout) | chk ) |
Definition at line 976 of file rings-primitive.F90.
recursive subroutine path_search | ( | integer, intent(in) | at0, |
integer, intent(in) | at1, | ||
integer, intent(in) | at2, | ||
integer, intent(in) | idt1, | ||
integer, intent(in) | idt2, | ||
integer, intent(in) | dmax, | ||
integer, intent(in) | dmed, | ||
integer, intent(in) | daring, | ||
integer, intent(inout) | npath, | ||
logical, intent(inout) | dlpath, | ||
integer, dimension(dmax*dmax), intent(inout) | stpath, | ||
integer, dimension(dmed), intent(in) | acring, | ||
integer, dimension(dmax*dmax,dmax), intent(inout) | tpath, | ||
logical, dimension(dmax*dmax), intent(inout) | cutpath, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
logical, dimension(nna), intent(inout) | chk, | ||
logical, dimension(nna), intent(inout) | chks, | ||
type (ring), intent(inout), pointer | sring ) |
Definition at line 1382 of file rings-primitive.F90.
subroutine prim_ring | ( | logical, dimension(2), intent(inout) | fndtab, |
integer, intent(in) | node, | ||
integer, intent(in) | pth, | ||
integer, intent(in) | lgth, | ||
integer, intent(in) | npt, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
integer, dimension(npt,2), intent(in) | qrng, | ||
integer, dimension(numa*10,taillr), intent(inout) | pord, | ||
integer, dimension(nna), intent(in) | matdis, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | rsaved, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | osaved, | ||
integer, dimension(taillr), intent(inout) | trin, | ||
integer, dimension(numa), intent(inout) | indp, | ||
integer, dimension(taillr), intent(inout) | reslp ) |
Definition at line 838 of file rings-primitive.F90.
subroutine primitive_ring_search_steps | ( | integer, intent(in) | rid | ) |
Definition at line 447 of file rings-primitive.F90.
integer function primitive_rings |
Definition at line 21 of file rings-primitive.F90.
integer function real_atom_id | ( | integer, intent(in) | ind, |
integer, intent(in) | nats ) |
Definition at line 828 of file rings-primitive.F90.
subroutine save_dijkstra_ring | ( | integer, dimension(taillr), intent(in) | tab, |
integer, intent(in) | tles, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | rsaved, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | osaved, | ||
integer, dimension(taillr), intent(inout) | tring, | ||
integer, dimension(numa), intent(inout) | indt, | ||
integer, dimension(taillr), intent(inout) | resl ) |
Definition at line 1721 of file rings-primitive.F90.
recursive subroutine search_strong_rings | ( | logical, intent(inout) | dlow, |
integer, intent(in) | idx, | ||
integer, intent(in) | idy, | ||
integer, intent(in) | dlgtr, | ||
integer, intent(in) | lgtr, | ||
logical, intent(inout) | srgoal, | ||
logical, intent(inout) | frgoal, | ||
integer, dimension(dlgtr), intent(in) | toter, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
logical, dimension(nna), intent(inout) | chks ) |
Definition at line 1080 of file rings-primitive.F90.
subroutine shortcut_ring | ( | integer, intent(in) | ida, |
integer, intent(in) | idb, | ||
integer, intent(in) | idc, | ||
integer, intent(in) | dlt, | ||
integer, dimension(dlt), intent(in) | tabab, | ||
type(ring), intent(inout), pointer | sring ) |
Definition at line 1533 of file rings-primitive.F90.
recursive subroutine spath_rec | ( | integer, intent(inout) | pth, |
integer, intent(in) | node, | ||
integer, intent(in) | length, | ||
integer, intent(in) | lngth, | ||
integer, dimension(nna), intent(in) | matdis, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt, | ||
integer, dimension(nna), intent(inout) | npri, | ||
integer, dimension(numa*10,taillr), intent(inout) | pordr ) |
Definition at line 788 of file rings-primitive.F90.
subroutine strong_rings | ( | logical, dimension(2), intent(inout) | fndtab, |
integer, intent(in) | rlgth, | ||
integer, intent(in) | rprobe, | ||
integer, dimension(taillr), intent(in) | toprim, | ||
integer, dimension(taillr), intent(in) | primto, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | asring, | ||
integer, dimension(taillr,numa,taillr), intent(inout) | osring, | ||
integer, dimension(taillr), intent(inout) | trng, | ||
integer, dimension(numa), intent(inout) | indt, | ||
integer, dimension(taillr), intent(inout) | resl, | ||
integer, dimension(nna), intent(in) | cpt, | ||
integer, dimension(nna,maxn), intent(in) | vpt ) |
Definition at line 1030 of file rings-primitive.F90.
subroutine testabab | ( | logical, intent(inout) | valtest, |
integer, intent(in) | lgtest, | ||
integer, dimension(taillr), intent(in) | primt ) |
Definition at line 1666 of file rings-primitive.F90.
subroutine testhomo | ( | logical, intent(inout) | valtest, |
integer, intent(in) | lgtest, | ||
integer, dimension(taillr), intent(in) | primt ) |
Definition at line 1698 of file rings-primitive.F90.