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Searched refs:dertype (Results 1 – 13 of 13) sorted by relevance

/dports/science/py-qcengine/qcengine-0.21.0/qcengine/programs/tests/
H A Dtest_standard_suite.py161 def test_hf_energy_module(inp, dertype, basis, subjects, clsd_open_pmols, request): argument
162 …runner_asserter(*_processor(inp, dertype, basis, subjects, clsd_open_pmols, request, "energy", "hf…
213 def test_hf_gradient_module(inp, dertype, basis, subjects, clsd_open_pmols, request): argument
264 def test_hf_hessian_module(inp, dertype, basis, subjects, clsd_open_pmols, request): argument
265 …runner_asserter(*_processor(inp, dertype, basis, subjects, clsd_open_pmols, request, "hessian", "h…
341 def test_mp2_energy_module(inp, dertype, basis, subjects, clsd_open_pmols, request): argument
427 def test_ccsd_energy_module(inp, dertype, basis, subjects, clsd_open_pmols, request): argument
485 if inp.get("error", False) and inp["error"].get(dertype, False):
486 inpcopy["error"] = inp["error"][dertype]
487 if inp.get("wrong", False) and inp["wrong"].get(dertype, False):
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/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.2.1/
H A Ddvb_ir_rhf.in30 frequencies('scf', dertype='gradient')
H A Ddvb_ir_rhf.out65 frequencies('scf', dertype='gradient')
/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.3.1/
H A Ddvb_ir_rhf.in30 frequencies('scf', dertype='gradient')
H A Ddvb_ir_rhf.out66 frequencies('scf', dertype='gradient')
/dports/net/samba412/samba-4.12.15/source4/heimdal/lib/asn1/
H A Dgen_decode.c212 const char *forwstr, const char *tmpstr, const char *dertype, in decode_type() argument
272 if (dertype) { in decode_type()
275 dertype); in decode_type()
281 if (dertype) in decode_type()
/dports/net/libyang/libyang-1.0.240/src/
H A Dparser_yang.c645 struct lys_type *dertype; in yang_check_type() local
785 dertype = &type->der->type; in yang_check_type()
787 if (!dertype->der) { in yang_check_type()
794 for (; !dertype->info.enums.count; dertype = &dertype->der->type); in yang_check_type()
839 if (!dertype->der) { in yang_check_type()
846 for (; !dertype->info.enums.count; dertype = &dertype->der->type); in yang_check_type()
1022 if ((dertype->base == LY_TYPE_INST) || (dertype->base == LY_TYPE_LEAFREF) in yang_check_type()
1023 || ((dertype->base == LY_TYPE_UNION) && dertype->info.uni.has_ptr_type)) { in yang_check_type()
1042 dertype = &type->der->type; in yang_check_type()
1043 while (dertype->der) { in yang_check_type()
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H A Dparser_yin.c446 struct lys_type *dertype; in fill_yin_type() local
573 dertype = &type->der->type; in fill_yin_type()
574 if (!dertype->der) { in fill_yin_type()
581 for (; !dertype->info.enums.count; dertype = &dertype->der->type); in fill_yin_type()
623 bits_sc = dertype->info.bits.bit; in fill_yin_type()
870 dertype = &type->der->type; in fill_yin_type()
871 if (!dertype->der) { in fill_yin_type()
878 for (; !dertype->info.enums.count; dertype = &dertype->der->type); in fill_yin_type()
1543 dertype = &type->der->type; in fill_yin_type()
1544 while (dertype->der) { in fill_yin_type()
[all …]
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/psi/
H A Dpsiinput.h72 void write_defaults(const Ref<PsiExEnv>&, const char *dertype);
H A Dpsiinput.cc258 PsiInput::write_defaults(const Ref<PsiExEnv>& exenv, const char *dertype) in write_defaults() argument
263 write_keyword("dertype",dertype); in write_defaults()
H A Dpsiwfn.cc139 const char *dertype = gradient_needed() ? "first" : "none"; in write_basic_input() local
142 psiinput->write_defaults(exenv_,dertype); in write_basic_input()
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/
H A Dmbpttest.in15 %dertype = none
19 dertype = first
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/
H A Dmbptr12test.in17 %dertype = none
21 dertype = none