Issues
- 8
RuntimeError in running the tutorial notebook
#657 opened by yzhang-23 - 3
Questions on gap_fit tutorial
#660 opened by Eadedeji - 2
- 5
Error in Installing QUIP/GAP
#648 opened by Eadedeji - 1
Tutorial Issue - dynamics.run()
#655 opened by fredkirk - 5
Python 3.12 support
#645 opened by JaGeo - 4
potential parameters file
#647 opened by niloufareabi - 3
- 37
Empty output file from quip command
#641 opened by MES-physics - 2
- 2
SYSTEM ABORT: Database was created with a later version of the code. (in LAMMPS)
#642 opened by MES-physics - 1
LAMMPS + QUIP
#643 opened by Pourasad - 2
angle_3b not MPI ready
#640 opened by MES-physics - 20
gap_fit MPI Segmentation fault
#636 opened by MES-physics - 4
- 1
- 1
- 7
SYSTEM ABORT: Traceback (most recent call last) File "/io/QUIP/src/GAP/gp_predict.f95", line 485 kind unspecified
#634 opened by MES-physics - 5
General trimer descriptor and gap_fit
#632 opened by sujona - 0
QUIPPY installation issue
#633 opened by bose045 - 1
Compilation Error
#631 opened by Prerna817 - 0
- 5
- 5
Compilation Error
#626 opened by MLDL-YY - 5
cpu overhead during potential file reading
#625 opened by yonghyuklee - 20
OS/Python version combination (in connection to pip install quippy-ase error #623)
#624 opened by hy39531 - 10
pip install quippy-ase error
#623 opened by hy39531 - 6
RMSE for Liquids in GAP
#622 opened by MES-physics - 2
Using Coulomb potential as a baseline
#620 opened by yonghyuklee - 2
Added better compatibility for soap_turbo definitions and add_species=T support
#621 opened by mcaroba - 21
Training forces help
#617 opened by Amitcuhp - 0
Issue with the uniform sparse
#618 opened by Anfeus02 - 2
make libquip
#616 opened by Sally6651 - 2
Behavior of add_species=True in quippy
#615 opened by mcaroba - 3
I have installed as per directions given here, but giving me this error. Can you help what mistake I am making.
#614 opened by Amitcuhp - 5
- 3
gap_fit does not find energies if pbc=false
#607 opened by imagdau - 3
MPI running on gap_fitting
#602 opened by GUANGZChen - 1
make config error
#603 opened by Tsukimane - 1
Usefulness of cur_covariance
#611 opened by EricPgh - 2
Has anything changed with the IP Glue method?
#610 opened by mcaroba - 13
undefined symbol: dgemm_
#609 opened by yg2831 - 2
Sparse method uniform fails for n_sparse == 0
#601 opened by Sideboard - 5
Couldn't find *params.xml
#608 opened by XiaoqZhang - 0
memory leak initializing a GAP Potential
#605 opened by bernstei - 7
- 8
Problem installing quip in new environment
#599 opened by stelladay - 12
Stress prediction and GAP.xml read error
#598 opened by yw-fang - 9
Descriptor explanation
#596 opened by sthinius87 - 1
archer 2 new OS build issue
#595 opened by stenczelt