Comments (1)
Its double presicion, 64 bit.
from ase_ani.
Related Issues (20)
- Clarification on training the model HOT 2
- Cuda 9.1/9.2 support HOT 9
- Portable version? HOT 15
- Would angluar shifts from 0 to +pi be sufficient? HOT 2
- geometry optimization doesn't work HOT 1
- problem installing ASED3 HOT 4
- libAEV.so can not open HOT 2
- What is 'default_neighborlist' method in aev.py doing? HOT 3
- computing energy of a benzene crystal results in a RuntimeError HOT 7
- Example of generating the feature vector from a geometry HOT 1
- `ani_quicktest.py` example requires changes to script HOT 4
- Libraries for OpenMM-ANI HOT 2
- libAtomicNNP.so: undefined symbol HOT 1
- Periodic Boundary Conditions HOT 4
- ANI-2X
- Import Error: cannot open shared object file: No such file or directory HOT 5
- Problem excecuting ani_quicktest.py with Geforce RTX 3080 HOT 6
- ANI-2x training data set
- Inclusion of Point Charge HOT 1
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