References to the WWW algorithm
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Notes:
  • Wooten-Winer-Weaire
  • Silica
  • Si nanocrystals embedded in a matrix of Silica
  • ART
  • LingTi Kong & Laurent Lewis: alphabetic order of routines
    • main (main.f90)
      • BondIndex (index.f90)
        • error (error.f90)
      • bondsw (bondsw.f90)
        • CheckBonds (unbonded.f90)
          • NBShell (unbounded.f90) PURE RECURSIVE
        • ClusterMS (molecularstatic.f90)
          • SD_MIN_Clus (steepd.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
          • CG_Min_Clus (conjg.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
            • linvol_clu (conjg.f90)
              • clusterforce (driver.f90)
                • KeatForcClus (keating.f90)
                  • UnBondForcClus (unbonded.f90)
                    • UnBondNeigClus (unbonded.f90)
                • TTForcClus (tutersoff.f90)
                  • UnBondForcClus (unbonded.f90)
                    • UnBondNeigClus (unbonded.f90)
          • DampMD_MIN_Clus (dampmd.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
          • BFGS_MIN_Clus (bfgsdriver.f90)
            • setulb (bfgsroutine.f PACKAGE)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
        • CPU_TIME
        • InitCheck (unbonded.f90)
        • MolecularStatic (molecularstatic.f90)
          • CG_MIN (conjg.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • linvol
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • SD_MIN (steepd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • DampMD_MIN (dampmd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • BFGS_MIN (bfgsdriver.f90)
            • setulb (bfgsroutine.f PACKAGE)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
        • puresicheck (bondsw.f90) RECURSIVE
        • puresisec (bondsw.f90) RECURSIVE
        • RANDOM_NUMBER
        • sio2check (bondsw.f90) RECURSIVE
        • sio2sec (bondsw.f90) RECURSIVE
      • CPU_TIME
      • disp_time (help.f90)
        • date_and_time (FORTRAN)
      • echoparam (vardef.f90)
        • flush (FORTRAN)
      • error (error.f90)
      • findnbl (neighbor.f90)
        • error (error.f90)
      • flush
      • FreeMem (freemem.f90)
      • FullCheck (unbonded.f90)
        • InitCheck (unbonded.f90)
        • CheckBonds (unbonded.f90)
          • NBShell (unbounded.f90) PURE RECURSIVE
      • InitBFGS (bfgsdriver.f90)
        • error (error.f90)
      • MolecularStatic (molecularstatic.f90)
        • CG_MIN (conjg.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • linvol
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • SD_MIN (steepd.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • DampMD_MIN (dampmd.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • BFGS_MIN (bfgsdriver.f90)
          • setulb (bfgsroutine.f PACKAGE)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
      • partition (partition.f90)
      • RANDOM_SEED
      • readcn
        • getarg
        • disp_version (help.f90)
          • date_and_time
        • sampleinput_mss (vardef.f90)
        • sampleinput (vardef.f90)
        • disp_help (help.f90)
        • error (error.f90)
        • InitBFGS (bfgsdriver.f90)
          • error (error.f90)
        • SimpleMix (readin.f90)
      • readonfly (vardef.f90)
        • date_and_time
      • readsave (save.f90)
        • warn (error.f90)
        • error (error.f90)
      • ReadTStage (tempstage.f90)
        • error (error.f90)
      • RelaxCell (rescale.f90)
        • backup (rescale.f90)
        • CalStress (driver.f90)
          • TuTersoffStress (tutersoff.f90)
            • UnBondStress (unbonded.f90)
              • UnBondNeig (unbonded.f90)
          • SWStress (sw.f90)
            • SWNeighbor (sw.f90)
              • error (error.f90)
            • error (error.f90)
          • KeatingStress (keating.f90)
            • UnBondStress (unbonded.f90)
              • UnBondNeig (unbonded.f90)
        • flush
        • force (driver.f90)
          • TuTersoffForce (tutersoff.f90)
            • UnBondForc (unbonded.f90)
              • UnBondNeig (unbonded.f90)
          • SWForce (sw.f90)
            • SWNeighbor (sw.f90)
              • error (error.f90)
            • error (error.f90)
          • KeatingForce (keating.f90)
            • UnBondForc (unbonded.f90)
              • UnBondNeig (unbonded.f90)
          • TuTersoffForce (tutersoff.f90)
            • UnBondForc (unbonded.f90)
              • UnBondNeig (unbonded.f90)
        • ForJudge (rescale.f90)
        • FullCheck (unbonded.f90)
          • InitCheck (unbonded.f90)
          • CheckBonds (unbonded.f90)
            • NBShell (unbounded.f90) PURE RECURSIVE
        • MolecularStatic (molecularstatic.f90)
          • CG_MIN (conjg.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • linvol
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • SD_MIN (steepd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • DampMD_MIN (dampmd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • BFGS_MIN (bfgsdriver.f90)
            • setulb (bfgsroutine.f PACKAGE)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
        • RANDOM_NUMBER
        • restore (rescale.f90)
        • WriteIOres (rescale.f90)
        • writexyz (writexyz.f90)
          • writecon (writecon.f90)
      • statistic (statistic.f90)
      • writebgf (writebgf.f90)
      • writeetm (writeetm.f90)
      • writefor (writefor.f90)
      • writesave (save.f90)
      • writexyz (writexyz.f90)
        • writecon (writecon.f90)
  • General Algorithm:
    • readcn
      • getarg
      • disp_version (help.f90)
        • date_and_time
      • sampleinput_mss (vardef.f90)
      • sampleinput (vardef.f90)
      • disp_help (help.f90)
      • error (error.f90)
      • InitBFGS (bfgsdriver.f90)
        • error (error.f90)
      • SimpleMix (readin.f90)
    • echoparam (vardef.f90)
      • flush (FORTRAN)
    • findnbl (neighbor.f90)
      • error (error.f90)
    • ReadTStage (tempstage.f90)
      • error (error.f90)
    • if (lrestart) then
      • readsave (save.f90)
        • warn (error.f90)
        • error (error.f90)
      • if (algo == 'BFGS') then
        • InitBFGS (bfgsdriver.f90)
          • error (error.f90)
    • BondIndex (index.f90)
      • error (error.f90)
    • error (error.f90)
    • writexyz (writexyz.f90)
      • writecon (writecon.f90)
    • RANDOM_SEED
    • CPU_TIME
    • do while (istep < nstep)
      • if (lunbond) then
        • FullCheck (unbonded.f90)
          • InitCheck (unbonded.f90)
          • CheckBonds (unbonded.f90)
            • NBShell (unbounded.f90) PURE RECURSIVE
      • MolecularStatic (molecularstatic.f90)
        • CG_MIN (conjg.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • linvol
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • SD_MIN (steepd.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • DampMD_MIN (dampmd.f90)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
        • BFGS_MIN (bfgsdriver.f90)
          • setulb (bfgsroutine.f PACKAGE)
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
          • flush
      • flush
      • bondsw (bondsw.f90)
        • CheckBonds (unbonded.f90)
          • NBShell (unbounded.f90) PURE RECURSIVE
        • ClusterMS (molecularstatic.f90)
          • SD_MIN_Clus (steepd.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
          • CG_Min_Clus (conjg.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
            • linvol_clu (conjg.f90)
              • clusterforce (driver.f90)
                • KeatForcClus (keating.f90)
                  • UnBondForcClus (unbonded.f90)
                    • UnBondNeigClus (unbonded.f90)
                • TTForcClus (tutersoff.f90)
                  • UnBondForcClus (unbonded.f90)
                    • UnBondNeigClus (unbonded.f90)
          • DampMD_MIN_Clus (dampmd.f90)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
          • BFGS_MIN_Clus (bfgsdriver.f90)
            • setulb (bfgsroutine.f PACKAGE)
            • clusterforce (driver.f90)
              • KeatForcClus (keating.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
              • TTForcClus (tutersoff.f90)
                • UnBondForcClus (unbonded.f90)
                  • UnBondNeigClus (unbonded.f90)
        • CPU_TIME
        • InitCheck (unbonded.f90)
        • MolecularStatic (molecularstatic.f90)
          • CG_MIN (conjg.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • linvol
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • SD_MIN (steepd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • DampMD_MIN (dampmd.f90)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
          • BFGS_MIN (bfgsdriver.f90)
            • setulb (bfgsroutine.f PACKAGE)
            • force (driver.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • SWForce (sw.f90)
                • SWNeighbor (sw.f90)
                  • error (error.f90)
                • error (error.f90)
              • KeatingForce (keating.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
              • TuTersoffForce (tutersoff.f90)
                • UnBondForc (unbonded.f90)
                  • UnBondNeig (unbonded.f90)
            • writexyz (writexyz.f90)
              • writecon (writecon.f90)
            • flush
        • puresicheck (bondsw.f90) RECURSIVE
        • puresisec (bondsw.f90) RECURSIVE
        • RANDOM_NUMBER
        • sio2check (bondsw.f90) RECURSIVE
        • sio2sec (bondsw.f90) RECURSIVE
      • CPU_TIME
      • flush
      • writexyz (writexyz.f90)
        • writecon (writecon.f90)
      • writesave (save.f90)
      • readonfly (vardef.f90)
        • date_and_time
      • if (ldum) then
        • InitBFGS (bfgsdriver.f90)
          • error (error.f90)
      • if (mod(istep, icelopt) == 0)
        • RelaxCell (rescale.f90)
          • backup (rescale.f90)
          • CalStress (driver.f90)
            • TuTersoffStress (tutersoff.f90)
              • UnBondStress (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWStress (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingStress (keating.f90)
              • UnBondStress (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • flush
          • force (driver.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • SWForce (sw.f90)
              • SWNeighbor (sw.f90)
                • error (error.f90)
              • error (error.f90)
            • KeatingForce (keating.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
            • TuTersoffForce (tutersoff.f90)
              • UnBondForc (unbonded.f90)
                • UnBondNeig (unbonded.f90)
          • ForJudge (rescale.f90)
          • FullCheck (unbonded.f90)
            • InitCheck (unbonded.f90)
            • CheckBonds (unbonded.f90)
              • NBShell (unbounded.f90) PURE RECURSIVE
          • MolecularStatic (molecularstatic.f90)
            • CG_MIN (conjg.f90)
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
              • linvol
                • force (driver.f90)
                  • TuTersoffForce (tutersoff.f90)
                    • UnBondForc (unbonded.f90)
                      • UnBondNeig (unbonded.f90)
                  • SWForce (sw.f90)
                    • SWNeighbor (sw.f90)
                      • error (error.f90)
                    • error (error.f90)
                  • KeatingForce (keating.f90)
                    • UnBondForc (unbonded.f90)
                      • UnBondNeig (unbonded.f90)
                  • TuTersoffForce (tutersoff.f90)
                    • UnBondForc (unbonded.f90)
                      • UnBondNeig (unbonded.f90)
              • writexyz (writexyz.f90)
                • writecon (writecon.f90)
              • flush
            • SD_MIN (steepd.f90)
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
              • writexyz (writexyz.f90)
                • writecon (writecon.f90)
              • flush
            • DampMD_MIN (dampmd.f90)
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
              • writexyz (writexyz.f90)
                • writecon (writecon.f90)
              • flush
            • BFGS_MIN (bfgsdriver.f90)
              • setulb (bfgsroutine.f PACKAGE)
              • force (driver.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • SWForce (sw.f90)
                  • SWNeighbor (sw.f90)
                    • error (error.f90)
                  • error (error.f90)
                • KeatingForce (keating.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
                • TuTersoffForce (tutersoff.f90)
                  • UnBondForc (unbonded.f90)
                    • UnBondNeig (unbonded.f90)
              • writexyz (writexyz.f90)
                • writecon (writecon.f90)
              • flush
          • RANDOM_NUMBER
          • restore (rescale.f90)
          • WriteIOres (rescale.f90)
          • writexyz (writexyz.f90)
            • writecon (writecon.f90)
      • if ( bsacc .and. istep > navecal ) then
        • statistic (statistic.f90)
      • flush
      • if ( algo == 'BFGS' ) then
        • InitBFGS (bfgsdriver.f90)
          • error (error.f90)
      • flush
    • CPU_TIME
    • if ( istep >= nstep .and. istage >= nstage ) then
      • MolecularStatic
      • if ( istep.gt.icelopt ) then
        • call RelaxCell(istep)
        • call MolecularStatic( 2*nmsbs )
    • writexyz (writexyz.f90)
      • writecon (writecon.f90)
    • writebgf (writebgf.f90)
    • writefor (writefor.f90)
    • writeetm (writeetm.f90)
    • writesave (save.f90)
    • statistic (statistic.f90) (with or without Nocedal)
    • partition (partition.f90)
    • FreeMem (freemem.f90)
    • disp_time (help.f90)
      • date_and_time (FORTRAN)

Last update May 24, 2012.