https://gitlab.com/januseriksen/pymbe
Tip revision: 292defc7bb08578e5b0e15362daeffb3520faecc authored by Janus Juul Eriksen on 22 March 2017, 18:54:08 UTC
impl. option to use mp2 nat. orbs. - default is OFF
impl. option to use mp2 nat. orbs. - default is OFF
Tip revision: 292defc
| File | Mode | Size |
|---|---|---|
| examples | ||
| .gitignore | -rw-r--r-- | 5 bytes |
| README.md | -rw-r--r-- | 240 bytes |
| bg_cfour.py | -rwxr-xr-x | 4.6 KB |
| bg_driver.py | -rwxr-xr-x | 9.2 KB |
| bg_energy.py | -rwxr-xr-x | 3.6 KB |
| bg_info.py | -rwxr-xr-x | 12.9 KB |
| bg_main.py | -rwxr-xr-x | 2.2 KB |
| bg_mpi_energy.py | -rwxr-xr-x | 8.2 KB |
| bg_mpi_main.py | -rwxr-xr-x | 6.6 KB |
| bg_mpi_orbitals.py | -rwxr-xr-x | 11.2 KB |
| bg_mpi_time.py | -rwxr-xr-x | 11.4 KB |
| bg_mpi_utils.py | -rwxr-xr-x | 8.3 KB |
| bg_mpi_wrapper.py | -rwxr-xr-x | 937 bytes |
| bg_orbitals.py | -rwxr-xr-x | 12.9 KB |
| bg_plotting.py | -rwxr-xr-x | 19.4 KB |
| bg_print.py | -rwxr-xr-x | 10.8 KB |
| bg_setup.py | -rwxr-xr-x | 2.4 KB |
| bg_summary.py | -rwxr-xr-x | 15.5 KB |
| bg_utils.py | -rwxr-xr-x | 3.4 KB |
