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Searched refs:CALC_DISTANCE (Results 1 – 9 of 9) sorted by relevance

/dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/
H A DCalculations.java54 final static int CALC_DISTANCE = 0; field in Calculations
129 for (int type = CALC_DISTANCE; type <= CALC_TORSION; type++) { in setConstraints()
209 return calc(CALC_DISTANCE, gradients, true); in energyBond()
274 case CALC_DISTANCE: in constraintEnergy()
303 case CALC_DISTANCE: in constraintEnergy()
330 case CALC_DISTANCE: in constrainQuadratic()
358 case CALC_DISTANCE: in getConstraintList()
363 case CALC_DISTANCE: in getConstraintList()
446 case CALC_DISTANCE: in getDebugHeader2()
506 case CALC_DISTANCE: in getDebugLineC()
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H A DCalculationsUFF.java106 calc = calculations[CALC_DISTANCE] = new Lst<Object[]>(); in setupCalculations()
189 case CALC_DISTANCE: in compute()
H A DCalculationsMMFF.java85 calc = calculations[CALC_DISTANCE] = new Lst<Object[]>(); in setupCalculations()
173 case CALC_DISTANCE: in compute()
H A DMMFFDistanceCalc.java43 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_DISTANCE, this)); in compute()
H A DUFFDistanceCalc.java42 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_DISTANCE, this)); in compute()
/dports/biology/plink/plink-ng-79b2df8c/1.9/
H A Dplink.c1169 …if ((parallel_tot > 1) && (calculation_type & (CALC_DISTANCE | CALC_GENOME | CALC_RELATIONSHIP)) &… in plink()
6117 calculation_type |= CALC_DISTANCE; in main()
10739 …} else if ((cluster.ppc == 0.0) && ((calculation_type & (CALC_DISTANCE | CALC_PLINK1_DISTANCE_MATR… in main()
10757 if (calculation_type & (CALC_DISTANCE | CALC_PLINK1_DISTANCE_MATRIX)) { in main()
12813 if ((cluster.ppc != 0.0) && (!read_genome_fname) && (calculation_type & (CALC_DISTANCE))) { in main()
12817 …if ((calculation_type & (CALC_CLUSTER | CALC_NEIGHBOR)) && (((calculation_type & CALC_DISTANCE) &&… in main()
12848 if (distance_wts_fname && (!(calculation_type & (CALC_DISTANCE | CALC_RELATIONSHIP)))) { in main()
12852 …if ((parallel_tot > 1) && (!(calculation_type & (CALC_LD | CALC_DISTANCE | CALC_GENOME | CALC_RELA… in main()
H A Dplink_common.h399 #define CALC_DISTANCE 4LLU macro
H A Dplink_calc.c7576 …uint32_t missing_wt_needed = ((calculation_type & CALC_DISTANCE) || ((!read_dists_fname) && (calcu… in calc_distance()
8162 if (calculation_type & (CALC_DISTANCE | CALC_IBS_TEST)) { in calc_distance()
8179 if (calculation_type & CALC_DISTANCE) { in calc_distance()
H A Dplink_common.c5324 …return ((calculation_type & CALC_DISTANCE) || ((calculation_type & (CALC_PLINK1_DISTANCE_MATRIX | … in distance_req()