Pinned Repositories
cfacc
Thiele fraction analytic continuation in c++
cqcpy
Some useful python functionality for quantum chemistry applications
ctfccsd
Using CTF to parallelize CCSD and kCCSD code
ft_mp2_test
simple test of finite temperature MP2
gen_epcc
Equations for ep-CC theories
kelvin
Quantum chemistry at finite temperature
lattice
Lattice models in python
Lomap
Alchemical mutation scoring map
pyscf
Python module for quantum chemistry
wick
Symbolic manipulation of operator strings for quantum chemistry
awhite862's Repositories
awhite862/wick
Symbolic manipulation of operator strings for quantum chemistry
awhite862/cqcpy
Some useful python functionality for quantum chemistry applications
awhite862/ft_mp2_test
simple test of finite temperature MP2
awhite862/kelvin
Quantum chemistry at finite temperature
awhite862/cfacc
Thiele fraction analytic continuation in c++
awhite862/ctfccsd
Using CTF to parallelize CCSD and kCCSD code
awhite862/gen_epcc
Equations for ep-CC theories
awhite862/lattice
Lattice models in python
awhite862/Lomap
Alchemical mutation scoring map
awhite862/pyscf
Python module for quantum chemistry
awhite862/semi
simple semi-empirical quantum chemistry
awhite862/StackBlock