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

Rename mliap_unifiedpy.pyx to mliap_unified_couple.pyx, fix references

Browse Source
This commit is contained in:
Steven Ray Anaya
2022-09-01 02:57:48 -06:00
parent a17e3e2350
commit d5ae116a89
4 changed files with 7 additions and 7 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
python/lammps/mliap/loader.py
View File

@ -57,7 +57,7 @@ class DynamicLoader(importlib.abc.Loader):
def activate_mliappy(lmp): def activate_mliappy(lmp):
try: try:
library = lmp.lib library = lmp.lib
module_names = ["mliap_model_python_couple", "mliap_unifiedpy"] module_names = ["mliap_model_python_couple", "mliap_unified_couple"]
api_version = library.lammps_PYTHON_API_VERSION() api_version = library.lammps_PYTHON_API_VERSION()
for module_name in module_names: for module_name in module_names:
@ -83,9 +83,9 @@ def load_model(model):
def load_unified(model): def load_unified(model):
try: try:
import mliap_unifiedpy import mliap_unified_couple
except ImportError as ie: except ImportError as ie:
raise ImportError("ML-IAP python module must be activated before loading\n" raise ImportError("ML-IAP python module must be activated before loading\n"
"the pair style. Call lammps.mliap.activate_mliappy(lmp)." "the pair style. Call lammps.mliap.activate_mliappy(lmp)."
) from ie ) from ie
mliap_unifiedpy.load_from_python(model) mliap_unified_couple.load_from_python(model)

4
src/ML-IAP/mliap_unified.cpp
View File

@ -23,7 +23,7 @@
#include "memory.h" #include "memory.h"
#include "lmppython.h" #include "lmppython.h"
#include "mliap_data.h" #include "mliap_data.h"
#include "mliap_unifiedpy.h" #include "mliap_unified_couple.h"
#include "pair_mliap.h" #include "pair_mliap.h"
#include "python_compat.h" #include "python_compat.h"
#include "utils.h" #include "utils.h"
@ -169,7 +169,7 @@ MLIAPBuildUnified_t LAMMPS_NS::build_unified(char *unified_fname, MLIAPData *dat
lmp->error->all(FLERR, "Could not initialize embedded Python"); lmp->error->all(FLERR, "Could not initialize embedded Python");
} }
PyObject *unified_module = PyImport_ImportModule("mliap_unifiedpy"); PyObject *unified_module = PyImport_ImportModule("mliap_unified_couple");
if (PyErr_Occurred()) { if (PyErr_Occurred()) {
PyErr_Print(); PyErr_Print();

0
src/ML-IAP/mliap_unifiedpy.pyx → src/ML-IAP/mliap_unified_couple.pyx
View File

4
src/PYTHON/python_impl.cpp
View File

@ -34,7 +34,7 @@
// We could get around this with cython --capi-reexport-cincludes // We could get around this with cython --capi-reexport-cincludes
// However, that exposes -too many- headers. // However, that exposes -too many- headers.
#include "mliap_model_python_couple.h" #include "mliap_model_python_couple.h"
#include "mliap_unifiedpy.h" #include "mliap_unified_couple.h"
#endif #endif
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
@ -69,7 +69,7 @@ PythonImpl::PythonImpl(LAMMPS *lmp) : Pointers(lmp)
int err = PyImport_AppendInittab("mliap_model_python_couple", PyInit_mliap_model_python_couple); int err = PyImport_AppendInittab("mliap_model_python_couple", PyInit_mliap_model_python_couple);
if (err) error->all(FLERR, "Could not register MLIAPPY embedded python module."); if (err) error->all(FLERR, "Could not register MLIAPPY embedded python module.");
err = PyImport_AppendInittab("mliap_unifiedpy", PyInit_mliap_unifiedpy); err = PyImport_AppendInittab("mliap_unified_couple", PyInit_mliap_unified_couple);
if (err) error->all(FLERR, "Could not register MLIAPPY unified embedded python module."); if (err) error->all(FLERR, "Could not register MLIAPPY unified embedded python module.");
#endif #endif