Giters
TREX-CoE
/
trexio_tools
Set of tools for trexio files
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Stargazers:
18
Watchers:
5
Issues:
13
Forks:
6
TREX-CoE/trexio_tools Issues
Clarification on ~dim readonly~
Closed
3 months ago
Comments count
1
Convert to cartesian seams to be broken in 0.7.0
Closed
5 months ago
Comments count
3
PySCF to TREXIO converter is broken
Closed
6 months ago
Comments count
4
Integrals missing in the pyscf to trexio converter
Updated
7 months ago
Comments count
2
ORCA CI test failure
Closed
9 months ago
Comments count
8
Convert backend not functioning
Closed
9 months ago
Comments count
2
Import reorganisation requires upgrade of the major version
Closed
a year ago
Comments count
4
bug in basis_nucleus_index : junk data put into hdf5
Closed
a year ago
Regression tests
Updated
2 years ago
convert-to / convert-from
Closed
2 years ago
Comments count
2
NameError: name 'run_molden' is not defined
Closed
2 years ago
Comments count
9
Bug: `check-basis` is using an old basis set format
Closed
2 years ago
Comments count
1
GAMESS truncates the digits in the output of ECP
Updated
2 years ago