Searched defs:densgrad (Results 1 – 1 of 1) sorted by relevance
| /dports/science/xcfun/xcfun-2.1.1-1-gf87ca0e/tests/ |
| H A D | test_xcfun.py | 78 def densgrad(dens): function
199 def test_pbe_energy_restr(pbe_fun, dens, densgrad, refen_pbe): argument
204 def test_pbe_potential_restr(pbe_fun, dens, densgrad, denshess, refen_pbe, refpot_pbe): argument
210 def test_pbe_energy_unrestr_closedshell(pbe_fun, dens, densgrad, refen_pbe): argument
223 def test_pbe_potential_unrestr_closedshell(pbe_fun, dens, densgrad, denshess, refen_pbe, refpot_pbe… argument
242 def test_pbe_energy_unrestr_openshell(pbe_fun, dens, spindens, densgrad, refen_pbe): argument
261 def test_pbe_potential_unrestr_closedshell(pbe_fun, dens, spindens, densgrad, denshess, refen_pbe, … argument
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