Hi, First, thank you for this nice orbital viewer. There seems to be an issue when using the "Load file..." button the second time to load a .h5 file (can even be the same one as the one loaded the first time). Pegamoid crashes with the error message shown below. ``` Traceback (most recent call last): File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 4659, in file_read self.orbitals = self._fileReadThread.orbitals ^^^^^^^^^^^^^ File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 3750, in orbitals self._orbitals_changed(value) File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 3838, in _orbitals_changed self.new_box() File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 4908, in new_box self.boxSize = self.default_box()[0] ^^^^^^^^^^^^ File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 4333, in boxSize self._boxSize_changed(value, old) File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 4341, in _boxSize_changed self.build_grid() File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 4993, in build_grid self.update_cache(ngrid) File "C:\Users\mfleuti\.conda\envs\pega\Scripts\pegamoid.py", line 5113, in update_cache self._cache_file = np.memmap(os.path.join(self._tmpdir, '{0}.cache'.format(__name__.lower())), dtype=dtype, mode='w+', shape=(sum(self.orbitals.N_bas), npoints)) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "C:\Users\mfleuti\.conda\envs\pega\Lib\site-packages\numpy\core\memmap.py", line 229, in __new__ f_ctx = open(os_fspath(filename), ('r' if mode == 'c' else mode)+'b') ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ OSError: [Errno 22] Invalid argument: 'C:\\Users\\mfleuti\\AppData\\Local\\Temp\\tmpi79u4cc8\\pegamoid.cache ' ``` This behavior seems to be fixed by changing lines `self._cache_file = np.memmap(os.path.join(self._tmpdir, '{0}.cache'.format(__name__.lower())), dtype=dtype, mode='w+', shape=(sum(self.orbitals.N_bas), npoints))` and `self._dens_cache = np.memmap(os.path.join(self._tmpdir, '{0}.cache'.format(__name__.lower()), dtype=dtype, mode='w+', shape=(maxdens, npoints+1))` to use a `TemporaryFile` instead of the `os.path.join(...)` thing Although that might break other things I am not aware of... I am running Pegamoid inside a conda environment on a windows machine. Best wishes, Martin