Searched refs:isolute (Results 1 – 2 of 2) sorted by relevance
183 int i, iloop, isolute; in disprep() local202 for (isolute=0; isolute<solute_->natom(); isolute++) { in disprep()203 int Z_solute = solute_->Z(isolute); in disprep()206 solute_d8ii[isolute] = get_d8ii(solute_d6ii[isolute],radius); in disprep()207 solute_d10ii[isolute] = get_d10ii(solute_d6ii[isolute],radius); in disprep()208 solute_ki[isolute] = get_ki(Z_solute); in disprep()267 for (isolute=0; isolute<solute_->natom(); isolute++) { in disprep()269 SCVector3 atom(solute_->r(isolute)); in disprep()273 d6aa = solute_d6ii[isolute]; in disprep()274 d8aa = solute_d8ii[isolute]; in disprep()[all …]
1914 integer, allocatable :: isolute(:) local1934 allocate (isolute(n))1965 isolute(nsolute) = k1971 isolute(nsolute) = k2037 j = isolute(k)2070 deallocate (isolute)