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Searched refs:pbetype (Results 1 – 12 of 12) sorted by relevance

/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/generic/
H A Dpbeparm.c300 thee->pbetype = parm->pbetype; in PBEparm_copy()
370 thee->pbetype = PBE_LPBE; in PBEparm_parseLPBE()
377 thee->pbetype = PBE_NPBE; in PBEparm_parseNPBE()
403 thee->pbetype = PBE_LRPBE; in PBEparm_parseLRPBE()
410 thee->pbetype = PBE_NRPBE; in PBEparm_parseNRPBE()
457 thee->pbetype = PBE_SMPBE; in PBEparm_parseSMPBE()
H A Dpbeparm.h134 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/
H A Droutines.c1011 switch (pbeparm->pbetype) { in printPBEPARM()
1297 switch (pbeparm->pbetype) { in initMG()
1963 switch (pbeparm->pbetype) { in writedataFlat()
2203 switch (pbeparm->pbetype) { in writedataXML()
4127 if ((pbeparm->pbetype==PBE_NPBE) || in solveFE()
4128 (pbeparm->pbetype == PBE_NRPBE) || in solveFE()
4129 (pbeparm->pbetype == PBE_SMPBE)) { in solveFE()
4144 } else if ((pbeparm->pbetype==PBE_LPBE) || in solveFE()
4202 if ((pbeparm->pbetype==PBE_NPBE) || in energyFE()
4203 (pbeparm->pbetype==PBE_NRPBE) || in energyFE()
[all …]
/dports/science/tinker/tinker/apbs/include/macos/apbs/
H A Dpbeparm.h125 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
H A Dvpmg.h546 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
/dports/science/tinker/tinker/apbs/include/linux/apbs/
H A Dpbeparm.h125 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
H A Dvpmg.h546 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/mg/
H A Dvpmg.h582 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
H A Dvpmg.c893 double parm, Vhal_PBEType pbetype, PBEparm *pbeparm) { in Vpmg_fillArray() argument
1100 … if (pbetype == PBE_NPBE || pbetype == PBE_SMPBE /* SMPBE Added */) { in Vpmg_fillArray()
1102 } else if (pbetype == PBE_LPBE){ in Vpmg_fillArray()
1126 if (pbetype == PBE_NPBE || pbetype == PBE_SMPBE /* SMPBE Added */) { in Vpmg_fillArray()
1128 } else if (pbetype == PBE_LPBE) { in Vpmg_fillArray()
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/python/
H A Dapbslib.i399 Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, pbeparm->pbetype, pbeparm); in getPotentials()
H A Dapbslib.c2997 Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, pbeparm->pbetype, pbeparm); in getPotentials()
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/
H A Dapbs_driver.c541 pbeparm->pbetype, pbeparm); in apbsdrv_()