| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-1-4.c | 158 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in f14_energy() local
266 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in f14_first() local
564 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in f14_second() local
1214 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in f14_third() local
2676 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in f14_fourth() local
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| H A D | fun-hcth120.c | 178 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth120_energy() local
281 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth120_first() local
569 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth120_second() local
1202 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth120_third() local
2622 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth120_fourth() local
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| H A D | fun-hcth407.c | 177 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407_energy() local
279 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407_first() local
569 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407_second() local
1202 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407_third() local
2622 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407_fourth() local
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| H A D | fun-hcth407p.c | 181 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407p_energy() local
283 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407p_first() local
573 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407p_second() local
1206 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407p_third() local
2619 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth407p_fourth() local
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| H A D | fun-hcth93.c | 179 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93_energy() local
282 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93_first() local
574 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93_second() local
1208 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93_third() local
2634 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93_fourth() local
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| H A D | fun-b97-3.c | 168 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in b97_3_energy() local
278 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in b97_3_first() local
606 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in b97_3_second() local
1406 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in b97_3_third() local
3385 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in b97_3_fourth() local
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| H A D | fun-hcth147.c | 177 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth147_energy() local
279 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth147_first() local
568 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth147_second() local
1199 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth147_third() local
2618 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth147_fourth() local
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| H A D | fun-hcth93m.c | 177 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93m_energy() local
279 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93m_first() local
570 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93m_second() local
1202 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93m_third() local
2620 real grada = dp->grada, gradb = dp->gradb, gradab = dp->gradab; in hcth93m_fourth() local
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| H A D | functionals.h | 288 real grada, gradb; /* norms of the density gradient, not squares */ member
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| H A D | prop-eval.c | 582 real grada = fabs(grid->dp.grada)>1e-40 ? grid->dp.grada : 1e-40; in kohn_shamab_cb() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | dftgrid.cpp | 596 double grada(gradax+graday+gradaz); in update_density() local
615 double grada(gradax+graday+gradaz); in update_density() local
635 double grada(gradax+graday+gradaz); in update_density() local
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | dftgrid.cpp | 596 double grada(gradax+graday+gradaz); in update_density() local
615 double grada(gradax+graday+gradaz); in update_density() local
635 double grada(gradax+graday+gradaz); in update_density() local
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | functionals.h | 377 real grada, gradb; /* norms of the density gradient, not squares */ member
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| /dports/graphics/krita/krita-4.4.8/libs/image/ |
| H A D | kis_painter.cc | 2164 float grada, gradb, dxa, dxb, dya, dyb, fraca, fracb, in drawThickLine() local
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| /dports/science/openbabel/openbabel-3.1.1/scripts/python/openbabel/ |
| H A D | openbabel.py | 3336 grada = _swig_property(_openbabel.OBFFConstraint_grada_get, _openbabel.OBFFConstraint_grada_set) variable in OBFFConstraint
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