Kevin Dunseath
1e67616733
In phagen_scf.f, subroutine atom_sub: changed dimensions of r_hs, rho0_hs to be assumed size arrays |
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README.md
Introduction
This is the Python MsSpec version with support for Python 3.x and dynamic memory allocation for Phagen and Spec
To install
make selfex
./pymsspec-###.setup