Yuri Victorovich
8 lines
301 B
Plaintext
8 lines
301 B
Plaintext
gau2grid is a python-generated C library for vectorized computation of grid to
|
|
gaussian collocation matrices
|
|
|
|
The core of gau2grid is generating the collocation matrices between a real space
|
|
grid and a gaussian basis set expanded to a given angular momenta.
|
|
|
|
WWW: https://github.com/dgasmith/gau2grid
|