ICODE-ADC/lammps
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include enumerators

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This commit is contained in:
Axel Kohlmeyer
2020-10-18 00:45:04 -04:00
parent fcbbc51a33
commit 58ceab93ec
1 changed files with 42 additions and 3 deletions
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45
swig/lammps.i
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@ -1,5 +1,41 @@
%{
/* extern void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr); */
enum _LMP_DATATYPE_CONST {
LAMMPS_INT = 0, /*!< 32-bit integer (array) */
LAMMPS_INT_2D = 1, /*!< two-dimensional 32-bit integer array */
LAMMPS_DOUBLE = 2, /*!< 64-bit double (array) */
LAMMPS_DOUBLE_2D = 3, /*!< two-dimensional 64-bit double array */
LAMMPS_INT64 = 4, /*!< 64-bit integer (array) */
LAMMPS_INT64_2D = 5, /*!< two-dimensional 64-bit integer array */
LAMMPS_STRING = 6 /*!< C-String */
};
/** Style constants for extracting data from computes and fixes.
*
* Must be kept in sync with the equivalent constants in lammps.py */
enum _LMP_STYLE_CONST {
LMP_STYLE_GLOBAL=0, /*!< return global data */
LMP_STYLE_ATOM =1, /*!< return per-atom data */
LMP_STYLE_LOCAL =2 /*!< return local data */
};
/** Type and size constants for extracting data from computes and fixes.
*
* Must be kept in sync with the equivalent constants in lammps.py */
enum _LMP_TYPE_CONST {
LMP_TYPE_SCALAR=0, /*!< return scalar */
LMP_TYPE_VECTOR=1, /*!< return vector */
LMP_TYPE_ARRAY =2, /*!< return array */
LMP_SIZE_VECTOR=3, /*!< return length of vector */
LMP_SIZE_ROWS =4, /*!< return number of rows */
LMP_SIZE_COLS =5 /*!< return number of columns */
};
/*
extern void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr);
*/
extern void *lammps_open_no_mpi(int argc, char **argv, void **ptr);
extern void *lammps_open_fortran(int argc, char **argv, int f_comm);
extern void lammps_close(void *handle);
@ -26,7 +62,9 @@ extern void *lammps_extract_global(void *handle, const char *name);
extern void *lammps_extract_atom(void *handle, const char *name);
extern int lammps_extract_global_datatype(void *handle, const char *name);
extern int lammps_extract_atom_datatype(void *handle, const char *name);
/* extern int lammps_create_atoms(void *handle, int n, int *id, int *type,
extern int lammps_create_atoms(void *handle, int n, int *id, int *type,
double *x, double *v, int *image, int bexpand);
/*
extern int lammps_create_atoms(void *handle, int n, int64_t *id, int *type, */
extern void *lammps_extract_compute(void *handle, char *id, int, int);
extern void *lammps_extract_fix(void *handle, char *, int, int, int, int);
@ -106,8 +144,9 @@ extern void *lammps_extract_global(void *handle, const char *name);
extern void *lammps_extract_atom(void *handle, const char *name);
extern int lammps_extract_global_datatype(void *handle, const char *name);
extern int lammps_extract_atom_datatype(void *handle, const char *name);
/*
extern int lammps_create_atoms(void *handle, int n, int *id, int *type,
double *x, double *v, int *image, int bexpand);
/*
extern int lammps_create_atoms(void *handle, int n, int64_t *id, int *type, */
extern void *lammps_extract_compute(void *handle, char *id, int, int);
extern void *lammps_extract_fix(void *handle, char *, int, int, int, int);