#include "mdparallel.h"Go to the source code of this file.
Classes | |
| class | MEAMFrame |
Defines | |
| #define | nmmax 100000 |
| #define | nlcmax 100000 |
| #define | ndim 3 |
| #define | nnbrs 400 |
| #define | nnbrs2 500 |
Functions | |
| int | forces_ () |
| int | meamdefine_ () |
| int | input_ () |
Variables | |
| struct { | |
| char meamfile [100] | |
| } | meamdatafile_ |
| struct { | |
| int nlcx | |
| int nlcy | |
| int nlcz | |
| int nlc | |
| } | linklist_ |
| struct { | |
| double Lx | |
| double Ly | |
| double Lz | |
| } | box_ |
| struct { | |
| int nm | |
| } | np_ |
| struct { | |
| double x0 [nmmax] | |
| double y0 [nmmax] | |
| double z0 [nmmax] | |
| } | adim_ |
| struct { | |
| double atpe [nmmax] | |
| double atpe3b [nmmax] | |
| double pe | |
| double petrip | |
| } | ppote_ |
| struct { | |
| double fx [nmmax] | |
| double fy [nmmax] | |
| double fz [nmmax] | |
| } | area6_ |
| struct { | |
| double zsmeam | |
| double alphas | |
| double betas [4] | |
| double esubs | |
| double asubs | |
| double ts [4] | |
| double rozros | |
| double rcutmeam | |
| double cmin | |
| double cmax | |
| double replus | |
| double attrac | |
| double legend | |
| double equidist | |
| } | meamread_ |
| #define ndim 3 |
Definition at line 20 of file meam-marian.h.
| #define nlcmax 100000 |
Definition at line 19 of file meam-marian.h.
| #define nmmax 100000 |
Definition at line 18 of file meam-marian.h.
| #define nnbrs 400 |
Definition at line 21 of file meam-marian.h.
| #define nnbrs2 500 |
Definition at line 22 of file meam-marian.h.
| int forces_ | ( | ) |
| int input_ | ( | ) |
| int meamdefine_ | ( | ) |
| struct { ... } adim_ |
| double alphas |
Definition at line 31 of file meam-marian.h.
| struct { ... } area6_ |
| double asubs |
Definition at line 31 of file meam-marian.h.
| double atpe[nmmax] |
Definition at line 29 of file meam-marian.h.
| double atpe3b[nmmax] |
Definition at line 29 of file meam-marian.h.
| double attrac |
Definition at line 31 of file meam-marian.h.
| double betas[4] |
Definition at line 31 of file meam-marian.h.
| struct { ... } box_ |
| double cmax |
Definition at line 31 of file meam-marian.h.
| double cmin |
Definition at line 31 of file meam-marian.h.
| double equidist |
Definition at line 33 of file meam-marian.h.
| double esubs |
Definition at line 31 of file meam-marian.h.
| double fx[nmmax] |
Definition at line 30 of file meam-marian.h.
| double fy[nmmax] |
Definition at line 30 of file meam-marian.h.
| double fz[nmmax] |
Definition at line 30 of file meam-marian.h.
| double legend |
Definition at line 31 of file meam-marian.h.
| struct { ... } linklist_ |
| double Lx |
Definition at line 26 of file meam-marian.h.
| double Ly |
Definition at line 26 of file meam-marian.h.
| double Lz |
Definition at line 26 of file meam-marian.h.
| struct { ... } meamdatafile_ |
| char meamfile[100] |
Definition at line 24 of file meam-marian.h.
| struct { ... } meamread_ |
| int nlc |
Definition at line 25 of file meam-marian.h.
| int nlcx |
Definition at line 25 of file meam-marian.h.
| int nlcy |
Definition at line 25 of file meam-marian.h.
| int nlcz |
Definition at line 25 of file meam-marian.h.
| int nm |
Definition at line 27 of file meam-marian.h.
| struct { ... } np_ |
| double pe |
Definition at line 29 of file meam-marian.h.
| double petrip |
Definition at line 29 of file meam-marian.h.
| struct { ... } ppote_ |
| double rcutmeam |
Definition at line 31 of file meam-marian.h.
| double replus |
Definition at line 31 of file meam-marian.h.
| double rozros |
Definition at line 31 of file meam-marian.h.
| double ts[4] |
Definition at line 31 of file meam-marian.h.
| double x0[nmmax] |
| double y0[nmmax] |
Definition at line 28 of file meam-marian.h.
| double z0[nmmax] |
Definition at line 28 of file meam-marian.h.
| double zsmeam |
Definition at line 31 of file meam-marian.h.
1.5.7.1