https://github.com/sunqm/pyscf
Tip revision: effff0c403a54e38983676d4391a502190322164 authored by Qiming Sun on 24 August 2017, 17:59:48 UTC
Fix orbital symmetry info in mcscf-dmrg interface
Fix orbital symmetry info in mcscf-dmrg interface
Tip revision: effff0c
| File | Mode | Size |
|---|---|---|
| ao2mo | ||
| cc | ||
| ci | ||
| df | ||
| dft | ||
| doc | ||
| examples | ||
| fci | ||
| future | ||
| grad | ||
| gto | ||
| gw | ||
| hci | ||
| lib | ||
| mcscf | ||
| mp | ||
| nmr | ||
| pbc | ||
| pyscf | ||
| scf | ||
| symm | ||
| tools | ||
| .gitignore | -rw-r--r-- | 839 bytes |
| .travis.yml | -rw-r--r-- | 998 bytes |
| AUTHORS | -rw-r--r-- | 735 bytes |
| CHANGELOG | -rw-r--r-- | 11.6 KB |
| FEATURES | -rw-r--r-- | 3.6 KB |
| LICENSE | -rw-r--r-- | 1.3 KB |
| README.md | -rw-r--r-- | 5.5 KB |
| TODO | -rw-r--r-- | 476 bytes |
| __init__.py | -rw-r--r-- | 4.1 KB |
| setup.py | -rwxr-xr-x | 2.2 KB |
