Merge pull request #26 from bigd4/disable_printing

Not show c++ infomation

nep_cpu/src/pynep.cpp

@@ -7,6 +7,7 @@
 
 #include <pybind11/pybind11.h>
 #include <pybind11/stl.h>
+#include <pybind11/iostream.h>
 namespace py = pybind11;
 
 struct Atom {
@@ -37,6 +38,10 @@ class NepCalculator
 NepCalculator::NepCalculator(std::string _model_file)
 {
   model_file = _model_file;
+  py::scoped_ostream_redirect stream(
+    std::cout,                               // std::ostream&
+    py::module_::import("sys").attr("stdout") // Python output
+    );
   calc = NEP3(model_file);
   info["version"] = calc.paramb.version;
   info["zbl"] = calc.zbl.enabled;

pynep/calculate.py

@@ -1,4 +1,5 @@
 import numpy as np
+import os, contextlib
 from ase.calculators.calculator import (
     Calculator,
     all_changes,
@@ -48,7 +49,9 @@ def __init__(self, model_file="nep.txt", **kwargs) -> None:
             model_file (str, optional): filename of nep model. Defaults to "nep.txt".
         """
         Calculator.__init__(self, **kwargs)
-        self.calc = NepCalculator(model_file)
+        with open(os.devnull, 'w') as devnull:
+            with contextlib.redirect_stdout(devnull), contextlib.redirect_stderr(devnull):
+                self.calc = NepCalculator(model_file)
         self.type_dict = {e: i for i, e in enumerate(self.calc.info["element_list"])}
 
     def __repr__(self):