BC10_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing periodic boundaries in y and z coupled with a reflective boundary in the RHS of x |

BC11_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing continuation boundaries in y and z coupled with a reflective boundary in the RHS of x |

BC12_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing continuation boundaries in y and reflective boundaries in z as wellas the RHS of x |

BC1_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing reflective boundaries in y direction with complex physics |

BC2_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing reflective boundaries in x direction with complex physics |

BC3_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing periodic boundaries in y direction with complex physics |

BC4_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing periodic boundaries in x direction with complex physics |

BC5_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing continuation boundaries in y direction with complex physics |

BC6_FMT1_WCA_ELEC_2D/README [code] | 2D case - testing continuation boundaries in x direction with complex physics |

BC7_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing reflective boundaries in y and z and RHS of x |

BC8_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing reflective boundaries in x and z and RHS of y |

BC9_FMT1_WCA_ELEC_3D/README [code] | 3D case - testing reflective boundaries in x and y and LHS of z |

BULK1_FMT1_WCA_1D/README [code] | 1D case - locate a binodal approximately with Arc-Length continuation. One component Liquid-Vapor equilibrium |

BULK2_FMT1_WCA_1D/README [code] | 1D case - locate binodal precisely with binodal tracking algorithm (LOCA). One component Liquid-Vapor equilibrium |

BULK3_FMT1_WCA_1D/README [code] | 1D case - compute structure of liquid-vapor interface |

BULK4_MIX_FMT3_WCA_WJDC_1D/README [code] | 1D case - locate a binodal approximately with Arc-Length continuation. Two component Liquid-Vapor equilibrium |

BULK5_MIX_FMT3_WCA_WJDC_1D/README [code] | 1D case - locate binodal precisely with binodal tracking algorithm (LOCA), and create Pxy data for two component liquid-vapor equilibrium |

BULK6_MIX_FMT3_WCA_WJDC_1D/README [code] | 1D case - compute structure of liquid-vapor interface for a TWO component system |

BULK7_FMT3_WCA_WJDC_1D/README [code] | Liquid-Vapor Equilibria in 8-mer chain system (1D) |

BULK8_MIX_FMT3_WCA_WJDC_1D/README [code] | Paritioning calcualtion for a system composed of an 8-mer chain and a single site solvent (1D) |

CONT1_FMT1_WCA_1D/README [code] | 1D case - testing continuation algorithms (LOCA library) |

CONT2_FMT1_WCA_1D/README [code] | 1D case - testing continuation algorithms (LOCA library) |

CONT3_FMT1_WCA_1D/README [code] | 1D case - testing spinodal continuation (LOCA library) |

CONT4_FMT1_WCA_1D/README [code] | 1D case - testing binodal continuation (LOCA library) |

DIFFUSION1_FMT1_WCA_1D/README [code] | Color diffusion of an atomistic fluid through a permeable membrane |

DIFFUSION2_FMT1_WCA_WJDC_1D/README [code] | Color diffusion (Fickian) of a bonded chain fluid through a permeable membrane |

DIFFUSION3_FMT1_WCA_PICARD_1D/README [code] | Color diffusion of an atomistic fluid through a permeable membrane. Test for picard solver with diffusion problem |

DIFFUSION4_FMT1_WCA_3D/README [code] | Color diffusion of an atomistic fluid through a permeable membrane - 3D calculation |

DIFFUSION5_FMT1_WCA_WJDC_3D/README [code] | Color diffusion (Fickian) of a bonded chain fluid through a permeable membrane for a 3D system |

DIFFUSION6_FMT1_WCA_PICARD_3D/README [code] | Color diffusion of an atomistic fluid through a permeable membrane - 3D calculation with Picard solver |

EXP_FMT3_1D/README [code] | Cut and shifted exponential attraction |

GEOM10_SPHERE_3D/README [code] | 3D spherical surfaces. Vext(integrated) |

GEOM11_CYL_2D/README [code] | 2D infinite cylindrical surfaces. Vext(integrated) |

GEOM12_CYL_2D/README [code] | 2D infinite cylindrical surfaces. Vext(integrated) |

GEOM13_CYL_ROUGH_2D/README [code] | 2D rough infinite cylindrical surfaces. Vext(integrated) |

GEOM14_CYL_WEDGECUTOUT_2D/README [code] | 2D infinite cylindrical surfaces with a wedge removed. Vext(integrated) |

GEOM15_CYL_WEDGE2TYPES_2D/README [code] | 2D infinite cylindrical surfaces with wedges removed. compound surfaces are created by putting pairs of complementary wedges together. Vext(integrated) |

GEOM16_CYL_WEDGE2TYPES_REFLECT_2D/README [code] | 2D infinite cylindrical surfaces with wedges removed. compound surfaces are created by putting pairs of complementary wedges together. Vext(integrated). Reflective boundaries |

GEOM17_1ELEM_1D/README [code] | 1D 1element (thin membrane) surfaces |

GEOM18_1ELEM_2D/README [code] | 2D 1element (thin rod) surfaces |

GEOM19_1ELEM_3D/README [code] | 3D 1element (point) surfaces |

GEOM1_PLANE_ROUGH_2D/README [code] | 2D rough planar walls perpendicular to x axis. / Vext(Xwall) |

GEOM20_CYL_3D/README [code] | 3D finite length cylindrical surfaces. Vext(integrated) |

GEOM21_CYL_ROUGH_3D/README [code] | 3D finite length rough cylindrical surfaces. Vext(integrated) |

GEOM22_CYL_WEDGE2TYPES_3D/README [code] | 3D infinite length compound cylindrical wedge surfaces. Two total surfaces each composed of two surface types. Vext(integrated) |

GEOM23_CYL_PERIODIC_3D/README [code] | 3D infinite length periodic cylindrical surfaces. Vext(integrated) |

GEOM24_ATOMS_3D/README [code] | 3D atomistic surface based on 10-mer chain. Vext(integrated) |

GEOM25_CYL_PORE_2D/README [code] | 2D cylindrical pore. Vext(integrated) |

GEOM26_CYL_PORE_ROUGH_2D/README [code] | 2D rough cylindrical pore. Vext(integrated) |

GEOM27_CYL_PORE_WEDGE2TYPES_2D/README [code] | 2D rough compound cylindrical pore surface with two types of surface-fluid chemistry. Vext(integrated) |

GEOM28_CYLPORE_WEDGE2TYPES_3D/README [code] | 3D rough compound cylindrical finite-length pore with two types of surface-fluid chemistry. Vext(integrated) |

GEOM29_SLITPORE_2D/README [code] | 2D slit pore of finite length. One wall is smooth, the other is rough. Ncomp=2; Vext(integrated) |

GEOM2_PLANE_ROUGH_2D/README [code] | 2D rough planar walls perpendicular to y axis. / Vext(Xwall) |

GEOM30_TAPERED_SLITPORE_2D/README [code] | 2D tapered slit pore of finite length. Ncomp=2; Vext(integrated) |

GEOM31_TAPERED_CYLPORE_3D/README [code] | 3D tapered cylindrical pore of finite length. Ncomp=1; Vext(integrated) |

GEOM32_PLANE_PERIODIC_2D/README [code] | 2D surface with superimposed periodic function (corrugated surface) |

GEOM33_PLANE_PERIODIC2_2D/README [code] | 2D surface with superimposed periodic function (corrugated surface). Orientation test |

GEOM34_PLANE_PERIODIC3_2D/README [code] | 2D surface with two superimposed periodic functions (corrugated surface) |

GEOM35_PLANE_PERIODIC_3D/README [code] | 3D surface with two superimposed periodic functions in different directions (egg-carton surface) |

GEOM36_PLANE_NOTCH_2D/README [code] | 2D surface with a notch removed from the surface. Charged surface with electrolyte |

GEOM37_WEDGE_LINEAR_2D/README [code] | 2D wedge surface constructed with linear functions superimposed on a plane. Vext(integrated) |

GEOM38_WEDGE_3D/README [code] | 3D wedge surface in 3D constructed with 4 linear functions superimposed on a plane. Vext(integrated) |

GEOM39_AMFTIP_3D/README [code] | 3D model of a small AFM tip with a square pyramid structure |

GEOM3_PLANE_ROUGH_3D/README [code] | 3D / rough planar surfaces / perpendicular to x axis. / Vext(Xwall) |

GEOM40_AMFTIP_HEMISPHERE_3D/README [code] | 3D model of a small AFM tip with a hemispherical tip structure |

GEOM4_PLANE_ROUGH_3D/README [code] | 3D case / rough planar surfaces / perpendicular to y axis. / Vext(Xwall) |

GEOM5_PLANE_ROUGH_3D/README [code] | 3D / rough planar surfaces / perpendicular to z axis. / Vext(Xwall) |

GEOM6_PLANE_ROUGH_VEXTINT_2D/README [code] | 2D rough planar walls perpendicular to x axis. / Vext(integrated) |

GEOM7_PLANE_ROUGH_VEXTINT_3D/README [code] | 3D rough planar walls perpendicular to x axis. / Vext(integrated) |

GEOM8_BLOCK_2D/README [code] | 2D finite block surfaces. Vext(integrated) |

GEOM9_BLOCK_3D/README [code] | 3D finite block surfaces. Vext(integrated) |

HS1_FMT1_1D/README [code] | Hard sphere fluid in a hard wall slit (high resolution) |

HS2_FMT1_1D/README [code] | Hard sphere fluid in a hard wall slit (low resolution) |

HS3_FMT1_1D/README [code] | Hard sphere fluid in a hard wall slit (left reflecting boundary) |

HS4_FMT1_1D/README [code] | Hard sphere fluid in a hard wall slit (right reflecting boundary) |

HS5_FMT1_1D/README [code] | Hard sphere fluid near one hard wall |

HS6_FMT1_1D/README [code] | Hard sphere fluid near one hard wall (4 mesh coarsening zones) |

HS7_FMT1_1D/README [code] | Hard sphere fluid near one hard wall (residual and Jacobian coarsening) |

HS8_FMT4_1D/README [code] | Hard sphere fluid in a hard wall slit (high resolution) |

LJ1_FMT1_WCA_1D/README [code] | Lennard-Jones fluid at high density |

LJ2_FMT1_WCA_1D/README [code] | Lennard-Jones fluid at high density - Test mixing rule |

LJ3_FMT1_WCA_1D/README [code] | Lennard-Jones fluid at high density - Long range wall-fluid potential |

LJ4_FMT1_WCA_1D/README [code] | Lennard-Jones fluid at high density - Test numerical integration of wall potential |

LJ5_FMT1_WCA2_1D/README [code] | Lennard-Jones fluid at high density |

MIX10_FMT1_ATTELEC_1D/README [code] | Primitive model electrolyte (2 components) |

MIX11_FMT1_WCA_1D/README [code] | Lennard-Jones mixture (2 components) |

MIX12_FMT1_ELEC_1D/README [code] | Primitive model electrolyte (2 components) with corrections |

MIX13_ELEC_PICARD_1D/README [code] | Poisson-Boltzmann electrolyte (2 components). Test Picard Solver |

MIX1_FMT1_1D/README [code] | Hard Sphere mixture (2 components) |

MIX2_FMT1_WCA_1D/README [code] | Lennard-Jones mixture (2 components) |

MIX3_ELEC_1D/README [code] | Poisson-Boltzmann electrolyte (2 components) |

MIX4_FMT1_ELEC_1D/README [code] | Primitive model electrolyte (2 components) |

MIX5_FMT1_ELEC_1D/README [code] | Primitive model electrolyte (2 components) with corrections |

MIX6_FMT1_ELEC_1D/README [code] | Civilized model electrolyte (3 components) |

MIX7_FMT1_WCA_ELEC_1D/README [code] | Lennard-Jones electrolyte (3 components) |

MIX8_FMT1_WCA_ELEC_1D/README [code] | Lennard-Jones electrolyte (3 components) with a coarse mesh |

MIX9_FMT1_WCA_ELEC_1D/README [code] | Lennard-Jones electrolyte (3 components) coarse mesh,small domain |

NLSOLVER1_WJDC_FMT3_1D/README [code] | NL_Solver=0 8-2-8 hard polymer at a hard wall |

NLSOLVER2_WJDC_FMT3_1D/README [code] | NL_Solver=1 8-2-8 hard polymer at a hard wall |

NLSOLVER3_WJDC_FMT3_1D/README [code] | NL_Solver=2 8-2-8 hard polymer at a hard wall |

NLSOLVER4_WJDC_FMT3_1D/README [code] | NL_Solver=3; 8-2-8 hard polymer at a hard wall |

NLSOLVER5_WJDC_FMT3_1D/README [code] | NL_Solver=4 8-2-8 hard polymer at a hard wall |

POLY10_WJDC_FMT1_1D/README [code] | WJDC functionals: 5-mer at a hard wall |

POLY11_WJDC_FMT1_1D/README [code] | WJDC functionals: 5-mer at a hard wall |

POLY12_WJDC_FMT1_1D/README [code] | WJDC functionals: blocked polymer blend |

POLY13_WJDC_FMT1_WCA_1D/README [code] | 8-2-8 hard polymer at a hard wall |

POLY14_WJDC_FMT1_WCA_1D/README [code] | 8-2-8 hard polymer at a hard wall |

POLY15_WJDC_FMT3_1D/README [code] | WJDC functionals: 5-mer at a hard wall |

POLY16_WJDC_FMT3_1D/README [code] | WJDC functionals: 5-mer at a hard wall |

POLY17_WJDC_FMT3_1D/README [code] | WJDC functionals: blocked polymer blend |

POLY18_WJDC_FMT3_1D/README [code] | 8-2-8 hard polymer at a hard wall |

POLY19_WJDC_FMT3_1D/README [code] | Symmetric 8-2-8 hard polymer at a hard wall |

POLY1_CMS_1D/README [code] | 8-2-8 hard polymer at a hard wall |

POLY20_CMS_1D/README [code] | Lipid bilayer: 8-2-8 lipid plus solvent |

POLY21_WJDC_FMT3_1D/README [code] | Symmetric 8-2-8 hard polymer at a hard wall |

POLY22_WJDC_FMT3_1D/README [code] | Symmetric 8-2-8 hard polymer at a hard wall |

POLY24_CMS_GRAFT_1D/README [code] | Grafted, length 10 CMS polymer grafted to a hard wall |

POLY25_WJDC_FMT3_ELEC/README [code] | WJDC functionals: charged 10-mer and single site counterions at a hard wall |

POLY26_WJDC_FMT3_ELEC/README [code] | WJDC functionals: charged 10-mer and single site counterions in a hard wall slit |

POLY27_WJDC_FMT3_ELEC/README [code] | WJDC functionals: charged 10-mer and single site counterions in a hard wall slit |

POLY28_WJDC_FMT3_ELEC/README [code] | WJDC functionals: charged 10-mer and single site counterions in a hard wall slit |

POLY2_CMS_1D/README [code] | 8-2-8 attractive polymer at a 9-3 Lennard-Jones wall |

POLY3_CMS_1D/README [code] | Lipid bilayer: 8-2-8 lipid plus solvent |

POLY4_CMS_1D/README [code] | Charged Lipid bilayer: 8-2-8 lipid plus solvent |

POLY5_WTC_FMT1_1D/README [code] | WTC functionals: 3-mer at a hard wall |

POLY6_WTC_FMT1_1D/README [code] | WTC functionals: 5-mer at a hard wall |

POLY7_WTC_FMT1_1D/README [code] | WTC functionals: blocked 5-mer at a hard wall |

POLY8_WTC_FMT1_ELEC_1D/README [code] | WTC functionals: 5-mer at a hard wall with electrostatics |

POLY9_WTC_FMT1_1D/README [code] | WTC functionals: blocked polymer blend |

POLYBRANCH1_WJDC_FMT3_1D/README [code] | Branched WJDC polymer. Case is identical to 3-arm star case from Jain-Chapman 2009 manuscript |

POLYGRAFT1_WJDC_JAINPAPER_1D/README [code] | Grafted, length 50 hard polymer grafted to a hard wall |

POLYGRAFT2_WJDC_1D/README [code] | Grafted 50mer polymer attached to a noninteracting wall |

POLYGRAFT3_WJDC_SEMIGRAND_1D/README [code] | Grafted 10-mer polymer: end graft to a noninteracting wall. This case includes a free solvent |

POLYGRAFT4_WJDC_MIDSEG_1D/README [code] | Grafted 49mer polymer attached to a noninteracting wall. This chain is grafted at segment 24 (the middle of the chain) rather than at the end |

POLYGRAFT5_WJDC_ATT_MIXTURE_1D/README [code] | Mixture of grafted chains at different walls with attractions, external field, and midpoint grafting |

POLYGRAFT6_WJDC_2SURF_2D/README [code] | Mixture of two types of grafted chains on cylindrical walls in a 2D system, One chain is end grafted, the other is not |

SELF_ASSEMBLE1_FMT3_WCA_WJDC_1D/README [code] | Lipid bilayer system based on 8-2-8 lipid and single site solvent (1D) using Jain, Dominik, Chapman functionals |

SELF_ASSEMBLE2_FMT3_WCA_WJDC_1D/README [code] | A test of mesh continuation and the force sum rule using a calculatoin of a confined lipid bilayer system based on 8-2-8 lipid and single site solvent (1D). These calculations use the Jain, Dominik, Chapman functionals |

SELF_ASSEMBLE3_FMT3_WCA_WJDC_1D/README [code] | Phase transition tracking of confined lipid assemblies (bilayer/SAM) using 8-2-8 lipid and single site solvent |

SELF_ASSEMBLE4_FMT3_WCA_WJDC_1D/README [code] | Oil/water/surfactant interface |

SELF_ASSEMBLE5_BILAYERS_4MERTAIL/README [code] | Oil/water/surfactant interface |

SELF_ASSEMBLE6_BILAYERS_8MERTAIL/README [code] | Oil/water/surfactant interface |

SELF_ASSEMBLE7_BILAYERS_16MERTAIL/README [code] | Oil/water/surfactant interface |

SW_FMT3_1D/README [code] | Square-well fluid near a hard wall |

YUKAWA_FMT1_3D/README [code] | Yukawa fluid around a larger Yukawa sphere |