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Searched defs:iAt1 (Results 1 – 23 of 23) sorted by relevance

/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftb/
H A Drepulsive.F9048 integer :: iAt1, iNeigh, iAt2, iAt2f local
95 integer :: iAt1, iNeigh, iAt2, iAt2f local
H A Dcoulomb.F90121 integer :: ii, jj, iAt1, iAt2 local
161 integer :: ii, jj, iAt1, iAt2 local
216 integer :: iAt0, iAt1 local
444 integer :: iAt1, iAt2 local
483 integer, intent(in) :: iAt1 local
553 integer :: iAt0, iAt1 local
666 integer :: iAt1, iAt2 local
735 integer :: iAt0, iAt1 local
936 integer :: iAt1, iAt2 local
977 integer, intent(in) :: iAt1 local
[all …]
H A Dshift.F9073 integer :: iAt1, iAt2, iAt2f, iOrig, iSp1, iSp2, nOrb1, nOrb2 local
143 integer :: iAt1, iAt2f, iOrig, iSp1, iSp2, nOrb1, nOrb2 local
222 integer :: iAt1, iAt2, iAt2f, iOrig, iSp1, iSp2, nOrb1, nOrb2 local
H A Ddispslaterkirkw.F90150 integer :: iAt1, iAt2 local
405 integer :: iAt1, iNeigh, iAt2, iAt2f local
H A Dperiodic.F90648 integer :: ind, iAt1, nOrb1, iNeigh1, nOrb2 local
710 integer :: iAt1, iNeigh1, nOrb1 local
788 integer :: iAt1, iNeigh1, nOrb1 local
861 integer :: iAt1, iNeigh1, nOrb1 local
904 integer :: ind, iAt1 local
H A Dthirdorder.F90152 integer :: iNeigh, iAt1, iAt2, iSp1, iSp2, iSh1, iSh2 local
221 integer :: iAt1, iAt2f, iSp1, iSp2, iSh1, iSh2, iNeigh local
385 integer :: iAt1, iAt2, iAt2f, iSp1, iSp2, iSh1, iSh2, iNeigh local
455 integer :: iAt1, iAt2, iAt2f, iSp1, iSp2, iSh1, iSh2, iNeigh local
544 integer :: iAt1, iAt2, iAt2f, iSp1, iSp2, iSh1, iSh2, iNeigh, ii local
H A Ddensitymatrix.F90370 integer :: iAt1, iNeigh1, nOrb1, nOrb2, jj local
457 integer :: iAt1, iNeigh1, nOrb1, nOrb2, jj, nAtom local
550 integer :: iAt1, iNeigh1, jj, nOrb1, nOrb2, nAtom local
641 integer :: iAt1, iNeigh1, jj, nOrb1, nOrb2 local
H A Dscc.F90642 integer :: iAt1, iAt2, iAt2f, iNeigh local
1123 integer :: iAt1, iSp2, iU1, iU2 local
1229 integer :: iAt1, iAt2f, iSp1, iSp2, iSh1, iSh2, iU1, iU2, iNeigh, iAt1Start, iAt1End local
1300 integer :: iAt1, iAt2, iAt2f, iU1, iU2, iNeigh, iSp1, iSp2 local
1352 integer :: iAt1, iAt2, iU1, iU2, iNeigh, iSp1, iSp2 local
1414 integer :: iAt1, iAt2, iAt2f, iU1, iU2, iNeigh, ii, iSp1, iSp2 local
1480 integer :: iAt1, iAt2, iAt2f, iU1, iU2, iNeigh, ii, jj, iSp1, iSp2 local
H A Dsccinit.F90110 integer :: iAt1, iSp1, iSh1, nAtom, iSh1l, iSh1r, nSh1 local
150 integer :: iAt1, iSp1, iSh1, nAtom, iSh1l, iSh1r, nSh1 local
H A Ddispuff.F90127 integer :: iSp1, iSp2, iAt1 local
369 integer :: iAt1, iAt2, iAt2f, iSp1, iSp2, iNeigh, ii local
H A Dnonscc.F9093 integer :: nAtom, iAt1, iSp1, ind, iOrb1, iAtFirst, iAtLast local
150 integer :: nAtom, iAt1, iSp1, ind, iOrb1, iAtFirst, iAtLast local
296 integer :: iAt1, iAt2, iSp1, iSp2, iNeigh1, ind local
H A Ddispcommon.F9077 integer :: iAt1, iNeigh, iAt2, iAt2f, iG, ii local
203 integer :: iAt1, iNeigh, iAt2, iAt2f, iG, iSp1, iSp2, ii local
H A Ddispdftd3.F90311 integer :: iAt1, iNeigh, iAt2, iAt2f, ii local
H A Drangeseparated.F90388 integer :: iAtMu, iAtNu, iAt1, iAt2, iSp1, iSp2, nOrb1, nOrb2 local
1151 integer :: iSpin, iAt1, iAt2, nAtom local
1201 integer :: iAt1, iAt2, nAtom, mu, nu, alpha, beta local
H A Dstress.F9057 integer :: iAt1, iNeigh, iAt2, iAt2f, ii, nAtom local
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_extlibs/
H A Dmatconv.F9094 integer :: iOrb1, iOrb2, nOrb1, nOrb2, iAt1, iAt2f, iNeigh local
240 integer :: iOrb1, nOrb1, nOrb2, iAt1, iAt2f, iNeigh local
332 integer :: iOrb1, nOrb1, nOrb2, iAt1, iAt2, iAt2f, iNeigh local
403 integer :: iOrb1, iOrb2, nOrb1, nOrb2, iAt1, iAt2f, iNeigh local
557 integer :: iOrb1, nOrb1, nOrb2, iAt1, iAt2, iAt2f, iNeigh local
666 integer :: iOrb1, nOrb1, nOrb2, iAt1, iAt2, iAt2f, iNeigh local
/dports/science/iboview/ibo-view.20150427/src/MicroScf/
H A DCtAtomSet.cpp958 for ( uint iAt1 = iAt0; iAt1 < Atoms.size(); ++ iAt1 ) in FindEquivalentAtoms() local
1016 for ( uint iAt1 = 0; iAt1 < Atoms.size(); ++ iAt1 ) in FindMirrorSymmetryOps() local
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_io/
H A Dformatout.F90517 integer :: iAt1, iAt2, iAt2f, iNeigh, iOrig, nOrb1, nOrb2 local
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_timedep/
H A Dlinrespgrad.F901513 integer :: ij, ia, ab, i, j, a, b, iAt1 local
1582 integer :: iAt1 local
1818 integer :: ia, i, j, a, b, ab, ij, m, n, mu, nu, xyz, iAt1, iAt2 local
/dports/science/openbabel/openbabel-3.1.1/src/formats/libinchi/
H A Dichicans.c1523 int GetStereoNeighborPos( sp_ATOM *at, int iAt1, int iAt2 ) in GetStereoNeighborPos()
/dports/science/iboview/ibo-view.20150427/src/IboView/
H A DIvDocument.cpp159 for ( uint iAt1 = iAt0+1; iAt1 < pAtoms->size(); ++ iAt1 ) { in FindBondLines() local
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftbplus/
H A Dparser.F903120 integer :: iAt1, iAt2f, iSp1, iSp2, iNeigh local
H A Dmain.F901528 integer :: iAt1, iAt2, iNeigh local