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 D | pbeparm.c | 300 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()
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H A D | pbeparm.h | 134 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/ |
H A D | routines.c | 1011 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 …]
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/dports/science/tinker/tinker/apbs/include/macos/apbs/ |
H A D | pbeparm.h | 125 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
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H A D | vpmg.h | 546 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
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/dports/science/tinker/tinker/apbs/include/linux/apbs/ |
H A D | pbeparm.h | 125 Vhal_PBEType pbetype; /**< Which version of the PBE are we solving? */ member
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H A D | vpmg.h | 546 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/mg/ |
H A D | vpmg.h | 582 Vhal_PBEType pbetype, /**< Parameter for PBE type (if needed) */
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H A D | vpmg.c | 893 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()
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/python/ |
H A D | apbslib.i | 399 Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, pbeparm->pbetype, pbeparm); in getPotentials()
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H A D | apbslib.c | 2997 Vpmg_fillArray(pmg, pmg->rwork, VDT_POT, 0.0, pbeparm->pbetype, pbeparm); in getPotentials()
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/ |
H A D | apbs_driver.c | 541 pbeparm->pbetype, pbeparm); in apbsdrv_()
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