-
Currently, OpenMx returns RMSEA=0 and TLI=1 when we don't have the information to compute these. This behavior is confusing to users.
Note: @tbates some packages like `umx` *might* depend on this …
-
Someone pointed out during the Boulder Workshop that the sample size reported in `summary()` differs from the correct value when the model is set up using the multilevel feature. OpenMx needs to be c…
-
semtree does not detect that definition variables are part of the model and uses them as splitters.
-
I first brought up this proposal in a comment to issue #231 :
> As of 8/15/19, @jpritikin replaced all Fortran BLAS/LAPACK calls in the OpenMx backend with equivalent code that uses Eigen. The Open…
-
Dear Developers,
While running the 'twist bilayer MoS2' demo, I encountered an error during the 'band_col' processing. Below is my '.yaml' file for the test and band:
```python
ataset_params:
…
-
See https://openmx.ssri.psu.edu/node/4536 . I thought trying to use the multilevel feature with threshold variables would cause an error, but apparently someone got it to actually run, and return wha…
-
# class設計変更要件
## 問題点
objectへの作用とobjectの変更とを混同している。
## 対応予定
objectへの作用とobjectの変更クラスを分離する。
(pymatgenやaseはそうなっている。)
以下は別のオブジェクト
- PythonのAkaiKKR入力表現
- AkaiKKRの入力ファイル
- AkaiKKRの出力ファイル
- Py…
-
As I'm starting to play with local-basis DFT codes (e.g. OpenMX, Siesta, ORCA, Gaussian, etc.), it's become clear that along with pseudopotentials, one has to manage basis sets in a very similar way.
…
-
For example, the ase module can write only ATOMIC_POSITIONS angstrom in the quantum espresso input format.
In the examples, you use fractional coordinates to the unit cell vectors. interface/VASP.py…
-
The compute plan is going to become more central as we head towards OpenMx 3.0. We have an opportunity to let the users know what compute plan has been used, and perhaps how long each step took (and …