Home
last modified time | relevance | path

Searched refs:pmg (Results 1 – 25 of 175) sorted by relevance

1234567

/dports/finance/R-cran-plm/plm/man/
H A Dpmg.Rd3 \name{pmg}
4 \alias{pmg}
5 \alias{summary.pmg}
6 \alias{print.summary.pmg}
7 \alias{residuals.pmg}
10 pmg(
21 \method{summary}{pmg}(object, ...)
23 \method{print}{summary.pmg}(
30 \method{residuals}{pmg}(object, ...)
50 \item{object, x}{an object of class \code{pmg},}
[all …]
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/util/tests/
H A Dtest_provenance.py36 self.pmg = (
79 a = StructureNL(self.s, self.hulk, references=self.pmg)
91 a = StructureNL(self.s, self.duo, references=self.pmg)
96 StructureNL(self.s, self.hulk, references=self.pmg)
109 StructureNL(self.s, self.hulk, references=self.pmg)
155 self.pmg,
165 self.pmg,
179 self.pmg,
192 self.pmg,
206 self.pmg,
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/python/
H A Dapbslib.i386 nx = pmg->pmgp->nx; in getPotentials()
387 ny = pmg->pmgp->ny; in getPotentials()
388 nz = pmg->pmgp->nz; in getPotentials()
389 hx = pmg->pmgp->hx; in getPotentials()
390 hy = pmg->pmgp->hy; in getPotentials()
391 hzed = pmg->pmgp->hzed; in getPotentials()
392 xcent = pmg->pmgp->xcent; in getPotentials()
393 ycent = pmg->pmgp->ycent; in getPotentials()
394 zcent = pmg->pmgp->zcent; in getPotentials()
399 Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, pbeparm->pbetype, pbeparm); in getPotentials()
[all …]
H A Dapbslib_wrap.doc405 …(i,nosh,mgparm,pbeparm,realCenter,pbe,alist,dielXMap,dielYMap,dielZMap,kappaMap,chargeMap,pmgp,pmg)
407 killMG(nosh,pbe,pmgp,pmg)
409 solveMG(nosh,pmg,type)
411 setPartMG(nosh,mgparm,pmg)
415 forceMG(mem,nosh,pbeparm,mgparm,pmg,nforce,atomForce,alist)
419 writedataMG(rank,nosh,pbeparm,pmg)
421 writematMG(rank,nosh,pbeparm,pmg)
431 energyMG(nosh,icalc,pmg,INPUT,BOTH,INPUT,INPUT,INPUT)
437 getPotentials(nosh,pbeparm,pmg,alist)
H A Dmain.py170 pmg = new_pmglist(NOSH_MAXMOL)
257 pmgp, pmg) != 1:
269 thispmg = get_Vpmg(pmg,icalc)
326 killMG(nosh, pbe, pmgp, pmg)
345 delete_pmglist(pmg)
H A Dnoinput.py284 pmg = new_pmglist(NOSH_MAXMOL)
403 pmgp, pmg, potMap) != 1:
415 thispmg = get_Vpmg(pmg,icalc)
478 killMG(nosh, pbe, pmgp, pmg)
497 delete_pmglist(pmg)
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/
H A Droutines.c1351 pmg[icalc] = Vpmg_ctor(pmgp[icalc], pbe[icalc], 1, pmg[icalc-1], in initMG()
2446 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, in writedataMG()
2460 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_SMOL, in writedataMG()
2476 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_SSPL, in writedataMG()
2492 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_VDW, 0.0, in writedataMG()
2506 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_IVDW, in writedataMG()
2522 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_LAP, 0.0, in writedataMG()
2537 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_EDENS, 0.0, in writedataMG()
2551 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_NDENS, 0.0, in writedataMG()
2566 VASSERT(Vpmg_fillArray(pmg, pmg->rwork, VDT_QDENS, 0.0, in writedataMG()
[all …]
H A Droutines.h255 Vpmg *pmg[NOSH_MAXCALC], /**< Array of MG objects (one for each calc) */
268 Vpmg *pmg[NOSH_MAXCALC] /** Array of MG objects for each calc */
279 VEXTERNC int solveMG(NOsh *nosh, Vpmg *pmg, MGparm_CalcType type);
289 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg);
304 VEXTERNC int energyMG(NOsh* nosh, int icalc, Vpmg *pmg,
328 Vpmg *pmg, int *nforce, AtomForce **atomForce, Valist *alist[NOSH_MAXMOL]);
346 Vpmg *pmg, /**< MG object */
405 VEXTERNC int writedataMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
416 VEXTERNC int writematMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
H A Dmain.c119 Vpmg *pmg[NOSH_MAXCALC]; in main() local
255 pmg[i] = VNULL; in main()
477 chargeMap, pmgp, pmg, potMap)) { in main()
487 if (solveMG(nosh, pmg[i], mgparm->type) != 1) { in main()
493 if (setPartMG(nosh, mgparm, pmg[i]) != 1) { in main()
499 energyMG(nosh, i, pmg[i], in main()
504 forceMG(mem, nosh, pbeparm, mgparm, pmg[i], &(nforce[i]), in main()
508 writedataMG(rank, nosh, pbeparm, pmg[i]); in main()
511 writematMG(rank, nosh, pbeparm, pmg[i]); in main()
516 storeAtomEnergy(pmg[i], i, &(atomEnergy[i]), &(nenergy[i])); in main()
[all …]
/dports/science/tinker/tinker/apbs/include/linux/apbs/
H A Droutines.h227 Vpmg *pmg[NOSH_MAXCALC], /**< Array of MG objects (one for each calc) */
240 Vpmg *pmg[NOSH_MAXCALC] /** Array of MG objects for each calc */
251 VEXTERNC int solveMG(NOsh *nosh, Vpmg *pmg, MGparm_CalcType type);
261 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg);
276 VEXTERNC int energyMG(NOsh* nosh, int icalc, Vpmg *pmg,
300 Vpmg *pmg, int *nforce, AtomForce **atomForce, Valist *alist[NOSH_MAXMOL]);
318 Vpmg *pmg, /**< MG object */
377 VEXTERNC int writedataMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
388 VEXTERNC int writematMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
/dports/science/tinker/tinker/apbs/include/macos/apbs/
H A Droutines.h227 Vpmg *pmg[NOSH_MAXCALC], /**< Array of MG objects (one for each calc) */
240 Vpmg *pmg[NOSH_MAXCALC] /** Array of MG objects for each calc */
251 VEXTERNC int solveMG(NOsh *nosh, Vpmg *pmg, MGparm_CalcType type);
261 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg);
276 VEXTERNC int energyMG(NOsh* nosh, int icalc, Vpmg *pmg,
300 Vpmg *pmg, int *nforce, AtomForce **atomForce, Valist *alist[NOSH_MAXMOL]);
318 Vpmg *pmg, /**< MG object */
377 VEXTERNC int writedataMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
388 VEXTERNC int writematMG(int rank, NOsh *nosh, PBEparm *pbeparm, Vpmg *pmg);
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/
H A Dapbs_driver.c100 Vpmg *pmg[NOSH_MAXCALC]; in apbsdrv_() local
152 pmg[i] = VNULL; in apbsdrv_()
358 pmgp, pmg, potMap)) { in apbsdrv_()
380 energyMG(nosh, i, pmg[i], in apbsdrv_()
478 int nx = pmg[i]->pmgp->nx; in apbsdrv_()
479 int ny = pmg[i]->pmgp->ny; in apbsdrv_()
480 int nz = pmg[i]->pmgp->nz; in apbsdrv_()
481 double hx = pmg[i]->pmgp->hx; in apbsdrv_()
556 Vpmg_dtor(&pmg[i]); in apbsdrv_()
557 killMG(nosh, pbe, pmgp, pmg); in apbsdrv_()
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/pdb2pka/
H A Dexample.py79 pmg = new_pmglist(NOSH_MAXMOL)
172 pmgp, pmg) != 1:
182 thispmg = get_Vpmg(pmg,icalc)
231 killMG(nosh, pbe, pmgp, pmg)
250 delete_pmglist(pmg)
H A Dapbs.py106 self.pmg = new_pmglist(NOSH_MAXMOL)
253 self.pmgp, self.pmg, self.potMap) != 1:
264 self.thispmg = get_Vpmg(self.pmg,icalc)
380 killMG(self.nosh, self.pbe, self.pmgp, self.pmg)
407 delete_pmglist(self.pmg)
/dports/www/firefox-legacy/firefox-52.8.0esr/mobile/android/services/src/main/java/org/mozilla/gecko/sync/stage/
H A DFetchMetaGlobalStage.java29 PersistedMetaGlobal pmg = session.config.persistedMetaGlobal(); in handleSuccess() local
30 pmg.persistMetaGlobal(global); in handleSuccess()
32 pmg.persistLastModified(response.normalizedWeaveTimestamp()); in handleSuccess()
/dports/finance/R-cran-plm/plm/inst/tests/
H A Dtest_Estimators.R247 pmgccemgmod <- pmg (form, data = Produc, model = "cmg")
259 print(summary(pmg (form, data = Produc, model = "mg")))
260 print(summary(pmg (form, data = Produc, model = "dmg")))
261 print(summary(pmg (form, data = Produc, model = "cmg", trend = TRUE)))
262 print(summary(pmg (form, data = Produc, model = "mg", trend = TRUE)))
263 print(summary(pmg (form, data = Produc, model = "dmg", trend = TRUE)))
/dports/cad/yosys/yosys-yosys-0.12/passes/pmgen/
H A DMakefile.inc1 %_pm.h: passes/pmgen/pmgen.py %.pmg
45 PEEPOPT_PATTERN = passes/pmgen/peepopt_shiftmul.pmg
46 PEEPOPT_PATTERN += passes/pmgen/peepopt_muldiv.pmg
H A DREADME.md4 The program `pmgen.py` reads a `.pmg` (Pattern Matcher Generator) file and
10 search with backtracking. It is left to the author of the `.pmg` file to
18 When `pmgen.py` reads a `foobar.pmg` file, it writes `foobar_pm.h` containing
41 The `.pmg` file declares matcher state variables that are accessible via the
45 Similarly the `.pmg` file declares user data variables that become members of
53 The .pmg File Format
56 The `.pmg` file format is a simple line-based file format. For the most part
59 Lines in `.pmg` files starting with `//` are comments.
64 A `.pmg` file contains one or more patterns. Each pattern starts with a line
104 Many statements in a `.pmg` file contain C++ code. However, there are some
/dports/lang/spidermonkey60/firefox-60.9.0/mobile/android/services/src/main/java/org/mozilla/gecko/sync/stage/
H A DFetchMetaGlobalStage.java37 PersistedMetaGlobal pmg = session.config.persistedMetaGlobal(); in handleSuccess() local
38 pmg.persistMetaGlobal(global); in handleSuccess()
40 pmg.persistLastModified(response.normalizedWeaveTimestamp()); in handleSuccess()
/dports/graphics/cfdg/cfdg-3.3_1/input/tests/
H A Dwallpapertest45.cfdg9 //CF::Symmetry = CF::pmg, 3, 0.1, 0.2
21 //F[x -0.1 0.1 r -45 s 0.5] // pmm, pmg, pgg
H A Dwallpapertest1.cfdg15 //CF::Symmetry = CF::pmg, 0
33 //F[r -90 x -0.75 0.5] // pmg
/dports/math/gap/gap-4.11.0/pkg/cryst/gap/
H A Dcolor.gi73 local P, pmg, hom;
78 pmg := Action( G, ColorCosetList( P ), OnRight );
79 hom := ActionHomomorphism( G, pmg );
80 return [ pmg, hom ];
/dports/science/mpqc/mpqc-2.3.1/src/lib/util/group/
H A Dmessproc.cc58 Ref<MessageGrp> pmg = new ProcMessageGrp; in clone() local
59 return pmg; in clone()
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/tools/tests/
H A DMakefile.am37 always_built_SUBDIRS = vf2c blas lapack superlu arpack cgcode pmg
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/
H A DMakefile.am38 SUBDIRS = base @vf2c@ @blas@ @lapack@ @amd@ @umfpack@ @superlu@ @arpack@ @cgcode@ @pmg@ $(always_bu…

1234567