ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

add comment that this file needs to be updated when APIs are added

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-10-28 21:13:50 -04:00
parent 38335a4d47
commit 78910eb0e1
3 changed files with 12 additions and 12 deletions
Download Patch File Download Diff File Expand all files Collapse all files

17
src/library.h
View File

@ -41,7 +41,7 @@
/** Data type constants for extracting data from atoms, computes and fixes
*
* Must be kept in sync with the equivalent constants in python/lammps/constants.py,
* fortran/lammps.f90, and tools/swig/lammps.i */
* fortran/lammps.f90, tools/swig/lammps.i, examples/COUPLE/plugin/liblammpsplugin.h */
enum _LMP_DATATYPE_CONST {
LAMMPS_INT = 0, /*!< 32-bit integer (array) */
@ -56,7 +56,7 @@ enum _LMP_DATATYPE_CONST {
/** Style constants for extracting data from computes and fixes.
*
* Must be kept in sync with the equivalent constants in python/lammps/constants.py,
* fortran/lammps.f90, and tools/swig/lammps.i */
* fortran/lammps.f90, tools/swig/lammps.i, and examples/COUPLE/plugin/liblammpsplugin.h */
enum _LMP_STYLE_CONST {
LMP_STYLE_GLOBAL = 0, /*!< return global data */
@ -67,7 +67,7 @@ enum _LMP_STYLE_CONST {
/** Type and size constants for extracting data from computes and fixes.
*
* Must be kept in sync with the equivalent constants in python/lammps/constants.py,
* fortran/lammps.f90, and tools/swig/lammps.i */
* fortran/lammps.f90, tools/swig/lammps.i, and examples/COUPLE/plugin/liblammpsplugin.h */
enum _LMP_TYPE_CONST {
LMP_TYPE_SCALAR = 0, /*!< return scalar */
@ -81,7 +81,7 @@ enum _LMP_TYPE_CONST {
/** Error codes to select the suitable function in the Error class
*
* Must be kept in sync with the equivalent constants in python/lammps/constants.py,
* fortran/lammps.f90, and tools/swig/lammps.i */
* fortran/lammps.f90, tools/swig/lammps.i, and examples/COUPLE/plugin/liblammpsplugin.h */
enum _LMP_ERROR_CONST {
LMP_ERROR_WARNING = 0, /*!< call Error::warning() */
@ -94,7 +94,7 @@ enum _LMP_ERROR_CONST {
/** Variable style constants for extracting data from variables.
*
* Must be kept in sync with the equivalent constants in python/lammps/constants.py,
* fortran/lammps.f90, and tools/swig/lammps.i */
* fortran/lammps.f90, tools/swig/lammps.i, and examples/COUPLE/plugin/liblammpsplugin.h */
enum _LMP_VAR_CONST {
LMP_VAR_EQUAL = 0, /*!< compatible with equal-style variables */
@ -260,15 +260,14 @@ void lammps_decode_image_flags(int64_t image, int *flags);
#if defined(LAMMPS_BIGBIG)
typedef void (*FixExternalFnPtr)(void *, int64_t, int, int64_t *, double **, double **);
void lammps_set_fix_external_callback(void *handle, const char *id, FixExternalFnPtr funcptr,
void *ptr);
#elif defined(LAMMPS_SMALLBIG)
typedef void (*FixExternalFnPtr)(void *, int64_t, int, int *, double **, double **);
void lammps_set_fix_external_callback(void *, const char *, FixExternalFnPtr, void *);
#else
typedef void (*FixExternalFnPtr)(void *, int, int, int *, double **, double **);
void lammps_set_fix_external_callback(void *, const char *, FixExternalFnPtr, void *);
#endif
void lammps_set_fix_external_callback(void *handle, const char *id, FixExternalFnPtr funcptr,
void *ptr);
double **lammps_fix_external_get_force(void *handle, const char *id);
void lammps_fix_external_set_energy_global(void *handle, const char *id, double eng);
void lammps_fix_external_set_energy_peratom(void *handle, const char *id, double *eng);