Lammps源码中的类(class)层次结构图谱(转载)
(2013-11-06 12:06:17)分类: lammps运行 |
最近研究lammps源码来着,准备自己加点东西。花了点时间用sed 和awk
找了下lammps所有class间的导出关系,现列如下,以供
有志自己修改lammps源码的朋友们参考。
自己粗略作了下分类,不一定完全合理。
源码版本是2010.9.16号的。
以下所列关系均按
"基类-->导出类 (导出)类所在的头文件" 展示。
若导出类仍有导出类的,紧接着列于其下。
(注意:个别有多个基类的导出类仅列出了最后一个基类,另外txt格式贴过来稍稍有点乱)
%------------------------------------------------------
% TOP LEVEL LAMMPS CLASSES.
% Everything starts here.
%------------------------------------------------------
class
Pointers
pointers.h
{
class
LAMMPS
lammps.h
{
class
Pointers --> Memory
memory.h
class
Pointers --> Error
error.h
class
Pointers --> Universe
universe.h
class
Pointers --> Input
input.h
class
Pointers --> Atom
atom.h
class
Pointers --> Update
update.h
class
Pointers --> Neighbor
neighbor.h
class
Pointers --> Comm
comm.h
class
Pointers --> Domain
domain.h
class
Pointers --> Force
force.h
class
Pointers --> Modify
modify.h
class
Pointers --> Group
group.h
class
Pointers --> Output
output.h
class
Pointers --> Timer
timer.h
}
}
% -------- Some SYSTEM related CORE classes ------------
class Pointers -->
Lattice
lattice.h
class Pointers -->
CreateBox
create_box.h
class Pointers -->
ChangeBox
change_box.h
class Pointers -->
ReadData
read_data.h
class Pointers -->
ReadRestart
read_restart.h
class Pointers -->
WriteRestart
write_restart.h
class Pointers -->
NeighList
neigh_list.h
class Pointers -->
NeighRequest
neigh_request.h
class Pointers -->
FFT3d
fft3d_wrap.h
class Pointers -->
Shell
shell.h
class Pointers -->
Special
special.h
class Pointers -->
Temper
temper.h
class Pointers -->
Thermo
thermo.h
class Pointers -->
Velocity
velocity.h
class Pointers -->
Remap
remap_wrap.h
class Pointers -->
Replicate
replicate.h
class Pointers -->
RanMars
random_mars.h
class Pointers -->
RanPark
random_park.h
class Pointers -->
DisplaceAtoms
displace_atoms.h
class Pointers -->
DisplaceBox
displace_box.h
class Pointers -->
Variable
variable.h
class Pointers -->
Set
set.h
class Pointers -->
Run
run.h
class Pointers -->
Finish
finish.h
% ----- Atom specific ------
class Pointers -->
CreateAtoms
create_atoms.h
class Pointers -->
DeleteAtoms
delete_atoms.h
class Pointers -->
AtomVec
atom_vec.h
class AtomVec -->
AtomVecAngle
atom_vec_angle.h
class AtomVec -->
AtomVecAtomic
atom_vec_atomic.h
class AtomVec -->
AtomVecBond
atom_vec_bond.h
class AtomVec -->
AtomVecCharge
atom_vec_charge.h
class AtomVec -->
AtomVecFull
atom_vec_full.h
class AtomVec -->
AtomVecHybrid
atom_vec_hybrid.h
class AtomVec -->
AtomVecMolecular
atom_vec_molecular.h
% ----- Angle specific ------
class Pointers -->
Angle
angle.h
class Angle -->
AngleCharmm
angle_charmm.h
class Angle -->
AngleCosine
angle_cosine.h
class Angle -->
AngleCosineSquared
angle_cosine_squared.h
class
AngleCosineSquared -->
AngleCosineDelta
angle_cosine_delta.h
class Angle -->
AngleHarmonic
angle_harmonic.h
class Angle -->
AngleHybrid
angle_hybrid.h
class Angle -->
AngleTable
angle_table.h
class Pointers -->
Dihedral
dihedral.h
class Dihedral -->
DihedralCharmm
dihedral_charmm.h
class Dihedral -->
DihedralHarmonic
dihedral_harmonic.h
class Dihedral -->
DihedralHelix
dihedral_helix.h
class Dihedral -->
DihedralHybrid
dihedral_hybrid.h
class Dihedral -->
DihedralMultiHarmonic dihedral_multi_harmonic.h
class Dihedral -->
DihedralOPLS
dihedral_opls.h
% ----- Bond specific ------
class Pointers -->
Bond
bond.h
class Bond -->
BondFENE
bond_fene.h
class Bond -->
BondFENEExpand
bond_fene_expand.h
class Bond -->
BondHarmonic
bond_harmonic.h
class Bond -->
BondHybrid
bond_hybrid.h
class Bond -->
BondMorse
bond_morse.h
class Bond -->
BondNonlinear
bond_nonlinear.h
class Bond -->
BondQuartic
bond_quartic.h
class Bond -->
BondTable
bond_table.h
class Pointers -->
DeleteBonds
delete_bonds.h
% ----- Compute specific ------
class Pointers -->
Compute
compute.h
class Compute -->
ComputeAngleLocal
compute_angle_local.h
class Compute -->
ComputeBondLocal
compute_bond_local.h
class Compute -->
ComputeCentroAtom
compute_centro_atom.h
class Compute -->
ComputeCNAAtom
compute_cna_atom.h
class Compute -->
ComputeCOM
compute_com.h
class Compute -->
ComputeCOMMolecule
compute_com_molecule.h
class Compute -->
ComputeCoordAtom
compute_coord_atom.h
class Compute -->
ComputeDihedralLocal
compute_dihedral_local.h
class Compute -->
ComputeDisplaceAtom
compute_displace_atom.h
class Compute -->
ComputeERotateSphere
compute_erotate_sphere.h
class Compute -->
ComputeGroupGroup
compute_group_group.h
class Compute -->
ComputeGyration
compute_gyration.h
class Compute -->
ComputeGyrationMolecule
compute_gyration_molecule.h
class Compute -->
ComputeHeatFlux
compute_heat_flux.h
class Compute -->
ComputeImproperLocal
compute_improper_local.h
class Compute -->
ComputeKE
compute_ke.h
class Compute -->
ComputeKEAtom
compute_ke_atom.h
class Compute -->
ComputeMSD
compute_msd.h
class Compute -->
ComputeMSDMolecule
compute_msd_molecule.h
class Compute -->
ComputePairLocal
compute_pair_local.h
class Compute -->
ComputePE
compute_pe.h
class Compute -->
ComputePEAtom
compute_pe_atom.h
class Compute -->
ComputePressure
compute_pressure.h
class Compute -->
ComputePropertyAtom
compute_property_atom.h
class Compute -->
ComputePropertyLocal
compute_property_local.h
class Compute -->
ComputePropertyMolecule
compute_property_molecule.h
class Compute -->
ComputeRDF
compute_rdf.h
class Compute -->
ComputeReduce
compute_reduce.h
class ComputeReduce -->
ComputeReduceRegion
compute_reduce_region.h
class Compute -->
ComputeStressAtom
compute_stress_atom.h
class Compute -->
ComputeTemp
compute_temp.h
class Compute -->
ComputeTempCOM
compute_temp_com.h
class Compute -->
ComputeTempDeform
compute_temp_deform.h
class Compute -->
ComputeTempPartial
compute_temp_partial.h
class Compute -->
ComputeTempProfile
compute_temp_profile.h
class Compute -->
ComputeTempRamp
compute_temp_ramp.h
class Compute -->
ComputeTempRegion
compute_temp_region.h
class Compute -->
ComputeTempSphere
compute_temp_sphere.h
% ----- Fix specific ------
class Pointers -->
Fix
fix.h
class Fix -->
FixAdapt
fix_adapt.h
class Fix -->
FixAddForce
fix_addforce.h
class Fix -->
FixAveAtom
fix_ave_atom.h
class Fix -->
FixAveCorrelate
fix_ave_correlate.h
class Fix -->
FixAveHisto
fix_ave_histo.h
class Fix -->
FixAveSpatial
fix_ave_spatial.h
class Fix -->
FixAveTime
fix_ave_time.h
class Fix -->
FixAveForce
fix_aveforce.h
class Fix -->
FixBondBreak
fix_bond_break.h
class Fix -->
FixBondCreate
fix_bond_create.h
class Fix -->
FixBondSwap
fix_bond_swap.h
class Fix -->
FixBoxRelax
fix_box_relax.h
class Fix -->
FixDeform
fix_deform.h
class Fix -->
FixDeposit
fix_deposit.h
class Fix -->
FixDrag
fix_drag.h
class Fix -->
FixDtReset
fix_dt_reset.h
class Fix -->
FixEfield
fix_efield.h
class Fix -->
FixEnforce2D
fix_enforce2d.h
class Fix -->
FixEvaporate
fix_evaporate.h
class Fix -->
FixGravity
fix_gravity.h
class Fix -->
FixHeat
fix_heat.h
class Fix -->
FixIndent
fix_indent.h
class Fix -->
FixLangevin
fix_langevin.h
class Fix -->
FixLineForce
fix_lineforce.h
class Fix -->
FixMinimize
fix_minimize.h
class Fix -->
FixMomentum
fix_momentum.h
class Fix -->
FixMove
fix_move.h
class Fix -->
FixNH
fix_nh.h
class FixNH
--> FixNHSphere
fix_nh_sphere.h
class FixNHSphere -->
FixNPHSphere
fix_nph_sphere.h
class FixNHSphere -->
FixNPTSphere
fix_npt_sphere.h
class FixNHSphere -->
FixNVTSphere
fix_nvt_sphere.h
class FixNH
--> FixNPH
fix_nph.h
class FixNH
--> FixNPT
fix_npt.h
class FixNH
--> FixNVT
fix_nvt.h
class FixNH
--> FixNVTSllod
fix_nvt_sllod.h
class Fix -->
FixNVE
fix_nve.h
class FixNVE
--> FixNVESphere
fix_nve_sphere.h
class Fix -->
FixNVELimit
fix_nve_limit.h
class Fix -->
FixNVENoforce
fix_nve_noforce.h
class Fix -->
FixOrientFCC
fix_orient_fcc.h
class Fix -->
FixPlaneForce
fix_planeforce.h
class Fix -->
FixPressBerendsen
fix_press_berendsen.h
class Fix -->
FixPrint
fix_print.h
class Fix -->
FixQEQComb
fix_qeq_comb.h
class Fix -->
FixReadRestart
fix_read_restart.h
class Fix -->
FixRecenter
fix_recenter.h
class Fix -->
FixRespa
fix_respa.h
class Fix -->
FixRigid
fix_rigid.h
class
FixRigid -->
FixRigidNVE fix_rigid_nve.h
class
FixRigid -->
FixRigidNVT fix_rigid_nvt.h
class Fix -->
FixSetForce
fix_setforce.h
class Fix -->
FixShake
fix_shake.h
class Fix -->
FixShearHistory
fix_shear_history.h
class Fix -->
FixSpring
fix_spring.h
class Fix -->
FixSpringRG
fix_spring_rg.h
class Fix -->
FixSpringSelf
fix_spring_self.h
class Fix -->
FixStoreForce
fix_store_force.h
class Fix -->
FixStoreState
fix_store_state.h
class Fix -->
FixTempBerendsen
fix_temp_berendsen.h
class Fix -->
FixTempRescale
fix_temp_rescale.h
class Fix -->
FixThermalConductivity
fix_thermal_conductivity.h
class Fix -->
FixTMD
fix_tmd.h
class Fix -->
FixTTM
fix_ttm.h
class Fix -->
FixViscosity
fix_viscosity.h
class Fix -->
FixViscous
fix_viscous.h
class Fix -->
FixWall
fix_wall.h
class FixWall
--> FixWallHarmonic
fix_wall_harmonic.h
class FixWall
--> FixWallLJ126
fix_wall_lj126.h
class FixWall
--> FixWallLJ93
fix_wall_lj93.h
class Fix -->
FixWallReflect
fix_wall_reflect.h
class Fix -->
FixWallRegion
fix_wall_region.h
% ----- Pair Potential specific ------
class Pointers -->
Pair
pair.h
class Pair -->
PairAIREBO
pair_airebo.h
class Pair -->
PairBornCoulLong
pair_born_coul_long.h
class Pair -->
PairBuck
pair_buck.h
class Pair -->
PairBuckCoulCut
pair_buck_coul_cut.h
class Pair -->
PairBuckCoulLong
pair_buck_coul_long.h
class Pair -->
PairComb
pair_comb.h
class Pair -->
PairCoulCut
pair_coul_cut.h
class PairCoulCut -->
PairCoulDebye
pair_coul_debye.h
class Pair -->
PairCoulLong
pair_coul_long.h
class Pair -->
PairDPD
pair_dpd.h
class PairDPD -->
PairDPDTstat
pair_dpd_tstat.h
class Pair -->
PairEAM
pair_eam.h
class PairEAM -->
PairEAMAlloy
pair_eam_alloy.h
class PairEAM -->
PairEAMFS
pair_eam_fs.h
class Pair -->
PairEIM
pair_eim.h
class Pair -->
PairHybrid
pair_hybrid.h
class PairHybrid -->
PairHybridOverlay pair_hybrid_overlay.h
class Pair -->
PairLJ96Cut
pair_lj96_cut.h
class Pair -->
PairLJCharmmCoulCharmm
pair_lj_charmm_coul_charmm.h
class PairLJCharmmCoulCharmm
--> PairLJCharmmCoulCharmmImplicit
pair_lj_charmm_coul_charmm_implicit.h
class Pair -->
PairLJCharmmCoulLong
pair_lj_charmm_coul_long.h
class Pair -->
PairLJCut
pair_lj_cut.h
class Pair -->
PairLJCutCoulCut
pair_lj_cut_coul_cut.h
class PairLJCutCoulCut -->
PairLJCutCoulDebye
pair_lj_cut_coul_debye.h
class Pair -->
PairLJCutCoulLong
pair_lj_cut_coul_long.h
class PairLJCutCoulLong -->
PairLJCutCoulLongTIP4P pair_lj_cut_coul_long_tip4p.h
class Pair -->
PairLJExpand
pair_lj_expand.h
class Pair -->
PairLJGromacs
pair_lj_gromacs.h
class Pair -->
PairLJGromacsCoulGromacs
pair_lj_gromacs_coul_gromacs.h
class Pair -->
PairLJSmooth
pair_lj_smooth.h
class Pair -->
PairMorse
pair_morse.h
class Pair -->
PairSoft
pair_soft.h
class Pair -->
PairSW
pair_sw.h
class Pair -->
PairTable
pair_table.h
class Pair -->
PairTersoff
pair_tersoff.h
class PairTersoff -->
PairTersoffZBL
pair_tersoff_zbl.h
class Pair -->
PairYukawa
pair_yukawa.h
% ------ Region specific ------
class Pointers -->
Region
region.h
class Region -->
RegBlock
region_block.h
class Region -->
RegCone
region_cone.h
class Region -->
RegCylinder
region_cylinder.h
class Region -->
RegIntersect
region_intersect.h
class Region -->
RegPlane
region_plane.h
class Region -->
RegPrism
region_prism.h
class Region -->
RegSphere
region_sphere.h
class Region -->
RegUnion
region_union.h
% ----- Dump specific ------
class Pointers -->
Dump
dump.h
class Dump -->
DumpAtom
dump_atom.h
class Dump -->
DumpCustom
dump_custom.h
class DumpCustom -->
DumpCFG
dump_cfg.h
class Dump -->
DumpDCD
dump_dcd.h
class Dump -->
DumpLocal
dump_local.h
class Dump -->
DumpXYZ
dump_xyz.h
% ------ Misc specific
class Pointers -->
Improper
improper.h
class Improper -->
ImproperCvff
improper_cvff.h
class Improper -->
ImproperHarmonic
improper_harmonic.h
class Improper -->
ImproperHybrid
improper_hybrid.h
class Pointers -->
KSpace
kspace.h
class KSpace -->
Ewald
ewald.h
class KSpace -->
PPPM
pppm.h
class PPPM
--> PPPMTIP4P
pppm_tip4p.h
class Pointers -->
Minimize
minimize.h
class Pointers -->
Min
min.h
class Min -->
MinLineSearch
min_linesearch.h
class
MinLineSearch --> MinSD
min_sd.h
class
MinLineSearch --> MinCG
min_cg.h
class Pointers -->
Integrate
integrate.h
class Integrate -->
Respa
respa.h
class Integrate -->
Verlet
verlet.h
% ------ USER provided packages ------
class Compute
--->
ComputeAcklandAtom
USER-ACKLAND/compute_ackland_atom.h
class Fix
--->
FixATC
USER-ATC/fix_atc.h
class PairEAMAlloy
--->
PairCDEAM
USER-CD-EAM/pair_cdeam.h
class
PairCDEAM --->
PairCDEAM_OneSite USER-CD-EAM/pair_cdeam.h
class
PairCDEAM --->
PairCDEAM_TwoSite USER-CD-EAM/pair_cdeam.h
class CGCMMParms
USER-CG-CMM/cg_cmm_parms.h
class CGCMMParms
--->
AngleCGCMM
USER-CG-CMM/angle_cg_cmm.h
class CGCMMParms
--->
PairCMMCommon
USER-CG-CMM/pair_cmm_common.h
class
PairCMMCommon --->
PairCGCMM
USER-CG-CMM/pair_cg_cmm.h
class
PairCMMCommon --->
PairCGCMMCoulCut
USER-CG-CMM/pair_cg_cmm_coul_cut.h
class
PairCMMCommon --->
PairCGCMMCoulLong USER-CG-CMM/pair_cg_cmm_coul_long.h
class AtomVec
--->
AtomVecElectron
USER-EFF/atom_vec_electron.h
class Compute
--->
ComputeKEAtomEff
USER-EFF/compute_ke_atom_eff.h
class Compute
--->
ComputeKEEff
USER-EFF/compute_ke_eff.h
class ComputeTempDeform
--->
ComputeTempDeformEff
USER-EFF/compute_temp_deform_eff.h
class ComputeTemp
--->
ComputeTempEff
USER-EFF/compute_temp_eff.h
class ComputeTempRegion
--->
ComputeTempRegionEff
USER-EFF/compute_temp_region_eff.h
class FixLangevin
--->
FixLangevinEff
USER-EFF/fix_langevin_eff.h
class FixNH
--->
FixNHEff
USER-EFF/fix_nh_eff.h
class
FixNHEff --->
FixNPHEff
USER-EFF/fix_nph_eff.h
class
FixNHEff --->
FixNPTEff
USER-EFF/fix_npt_eff.h
class
FixNHEff --->
FixNVTEff
USER-EFF/fix_nvt_eff.h
class
FixNVTEff --->
FixNVTSllodEff USER-EFF/fix_nvt_sllod_eff.h
class FixNVE
--->
FixNVEEff
USER-EFF/fix_nve_eff.h
class FixTempRescale
--->
FixTempRescaleEff
USER-EFF/fix_temp_rescale_eff.h
class Pair
--->
PairEffCut
USER-EFF/pair_eff_cut.h
class KSpace
--->
EwaldN
USER-EWALDN/ewald_n.h
class Pair
--->
PairBuckCoul
USER-EWALDN/pair_buck_coul.h
class Pair
--->
PairLJCoul
USER-EWALDN/pair_lj_coul.h
class Fix
--->
FixIMD
USER-IMD/fix_imd.h
class Fix
--->
FixSMD
USER-SMD/fix_smd.h
% ----- GPU MEAM POEMS REAX XTC
------
class PairGayBerne
--->
PairGayBerneGPU
GPU/pair_gayberne_gpu.h
class PairLJCut
--->
PairLJCutGPU
GPU/pair_lj_cut_gpu.h
class Pair
--->
PairMEAM
MEAM/pair_meam.h
class Fix
--->
FixPOEMS
POEMS/fix_poems.h
class Fix
--->
FixReaxBonds
REAX/fix_reax_bonds.h
class Pair
--->
PairREAX
REAX/pair_reax.h
class Dump
--->
DumpXTC
XTC/dump_xtc.h
有志自己修改lammps源码的朋友们参考。
自己粗略作了下分类,不一定完全合理。
源码版本是2010.9.16号的。
以下所列关系均按
若导出类仍有导出类的,紧接着列于其下。
(注意:个别有多个基类的导出类仅列出了最后一个基类,另外txt格式贴过来稍稍有点乱)
%------------------------------------------------------
% TOP LEVEL LAMMPS CLASSES.
% Everything starts here.
%------------------------------------------------------
class
{
}
% -------- Some SYSTEM related CORE classes ------------
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
class
% ----- Atom specific ------
class
class
class
% ----- Angle specific ------
class
class
% ----- Bond specific ------
class
class
% ----- Compute specific ------
class
% ----- Fix specific ------
class
% ----- Pair Potential specific ------
class
% ------ Region specific ------
class
% ----- Dump specific ------
class
% ------ Misc specific
class
class
class
class
class
% ------ USER provided packages ------
class Compute
class Fix
class PairEAMAlloy
class CGCMMParms
class CGCMMParms
class CGCMMParms
class AtomVec
class Compute
class Compute
class ComputeTempDeform
class ComputeTemp
class ComputeTempRegion
class FixLangevin
class FixNH
class FixNVE
class FixTempRescale
class Pair
class KSpace
class Pair
class Pair
class Fix
class Fix
% -----
class PairGayBerne
class PairLJCut
class Pair
class Fix
class Fix
class Pair
class Dump