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/dports/www/grafana8/grafana-8.3.6/packages/grafana-data/src/transformations/
H A DfieldReducer.ts81 const calcs = { ...field.state.calcs } as FieldCalcs; constant
85 return (field.state.calcs = calcs);
243 const calcs = { constant
359 calcs.mean = calcs.sum! / calcs.nonNullCount;
366 if (calcs.max !== null && calcs.min !== null) {
367 calcs.range = calcs.max - calcs.min;
370 if (isNumber(calcs.firstNotNull) && isNumber(calcs.lastNotNull)) {
371 calcs.diff = calcs.lastNotNull - calcs.firstNotNull;
374 if (isNumber(calcs.firstNotNull) && isNumber(calcs.diff)) {
375 calcs.diffperc = calcs.diff / calcs.firstNotNull;
[all …]
/dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/
H A DUFFAngleCalc.java10 a = calcs.minAtoms[ia = angle[0]]; in setData()
11 b = calcs.minAtoms[ib = angle[1]]; in setData()
12 c = calcs.minAtoms[ic = angle[2]]; in setData()
14 calcs.parA = (FFParam) calcs.getParameter(a.sType); in setData()
15 calcs.parB = (FFParam) calcs.getParameter(b.sType); in setData()
16 calcs.parC = (FFParam) calcs.getParameter(c.sType); in setData()
46 ….calculateR0(calcs.parA.dVal[CalculationsUFF.PAR_R], calcs.parB.dVal[CalculationsUFF.PAR_R], calcs… in setData()
102 if (calcs.gradients) { in compute()
119 calcs.addForces(this, 3); in compute()
122 if (calcs.logging) in compute()
[all …]
H A DUFFDistanceCalc.java11 calcs.parA = (FFParam) calcs.getParameter(calcs.minAtoms[ia].sType); in setData()
12 calcs.parB = (FFParam) calcs.getParameter(calcs.minAtoms[ib].sType); in setData()
13 …r0 = CalculationsUFF.calculateR0(calcs.parA.dVal[CalculationsUFF.PAR_R], calcs.parB.dVal[Calculati… in setData()
14 calcs.parB.dVal[CalculationsUFF.PAR_XI], bondOrder); in setData()
19 …kb = CalculationsUFF.KCAL332 * calcs.parA.dVal[CalculationsUFF.PAR_Z] * calcs.parB.dVal[Calculatio… in setData()
29 calcs.setPairVariables(this); in compute()
36 if (calcs.gradients) { in compute()
38 calcs.addForces(this, 2); in compute()
41 if (calcs.logging) in compute()
42 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_DISTANCE, this)); in compute()
H A DUFFTorsionCalc.java14 a = calcs.minAtoms[ia = t[0]]; in setData()
15 b = calcs.minAtoms[ib = t[1]]; in setData()
16 c = calcs.minAtoms[ic = t[2]]; in setData()
17 d = calcs.minAtoms[id = t[3]]; in setData()
25 calcs.parB = (FFParam) calcs.getParameter(b.sType); in setData()
26 calcs.parC = (FFParam) calcs.getParameter(c.sType); in setData()
28 switch (calcs.parB.iVal[0] * calcs.parC.iVal[0]) { in setData()
122 if (calcs.gradients) { in compute()
124 calcs.addForces(this, 4); in compute()
127 if (calcs.logging) in compute()
[all …]
H A DMMFFSBCalc.java11 if (calcs.isLinear(angle.data[1])) in setData()
15 double[] dataij = (double[]) calcs.getParameter(calcs.minBonds[angle.data[ForceField.ABI_IJ]]); in setData()
16 double[] datajk = (double[]) calcs.getParameter(calcs.minBonds[angle.data[ForceField.ABI_JK]]); in setData()
37 calcs.setPairVariables(this); in compute()
38 calcs.setAngleVariables(this); in compute()
44 if (calcs.logging) in compute()
45 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_STRETCH_BEND, this)); in compute()
47 if (calcs.gradients) { in compute()
49 calcs.addForces(this, 3); in compute()
50 calcs.setPairVariables(this); in compute()
[all …]
H A DMMFFESCalc.java11 if (calcs.minAtoms[ia].partialCharge == 0 || calcs.minAtoms[ib].partialCharge == 0) in setData()
14 calcs.minAtoms[ia].partialCharge, calcs.minAtoms[ib].partialCharge, in setData()
15 (calcs.minAtoms[ia].bs14.get(ib) ? 249.0537 : 332.0716) } in setData()
23 calcs.setPairVariables(this); in compute()
27 if (calcs.gradients) { in compute()
29 calcs.addForces(this, 2); in compute()
32 if (calcs.logging && Math.abs(energy) > 20) in compute()
33 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_ES, this)); in compute()
H A DUFFVDWCalc.java9 a = calcs.minAtoms[ia]; in setData()
10 b = calcs.minAtoms[ib]; in setData()
12 FFParam parA = (FFParam) calcs.getParameter(a.sType); in setData()
13 FFParam parB = (FFParam) calcs.getParameter(b.sType); in setData()
45 calcs.setPairVariables(this); in compute()
55 if (calcs.gradients) { in compute()
57 calcs.addForces(this, 2); in compute()
60 if (calcs.logging) in compute()
61 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_VDW, this)); in compute()
H A DUFFOOPCalc.java138 b = calcs.minAtoms[ib]; in setData()
140 a = calcs.minAtoms[ia = atomList[0]]; in setData()
141 c = calcs.minAtoms[ic = atomList[1]]; in setData()
142 d = calcs.minAtoms[id = atomList[2]]; in setData()
211 double koop = (calcs.isPreliminary ? dData[4] : dData[0]); in compute()
215 calcs.setOopVariables(this, true); in compute()
225 if (calcs.gradients) { in compute()
230 calcs.addForces(this, 4); in compute()
233 if (calcs.logging) in compute()
234 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_OOP, this)); in compute()
H A DMMFFTorsionCalc.java10 if (calcs.isLinear(t.data[1]) || calcs.isLinear(t.data[2])) in setData()
12 Object data = calcs.getParameterObj(t); in setData()
28 calcs.setTorsionVariables(this); in compute()
44 if (calcs.gradients) { in compute()
54 calcs.addForces(this, 4); in compute()
57 if (calcs.logging) in compute()
58 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_TORSION, this)); in compute()
H A DMMFFAngleCalc.java10 Object data = calcs.getParameterObj(angle); in setData()
26 calcs.setAngleVariables(this); in compute()
34 if (calcs.gradients) in compute()
38 if (calcs.gradients) in compute()
41 if (calcs.gradients) in compute()
42 calcs.addForces(this, 3); in compute()
44 if (calcs.logging) in compute()
45 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_ANGLE, this)); in compute()
H A DMMFFOOPCalc.java13 if (calcs.minAtoms[i].nBonds != 3) in setData()
15 int[] indices = calcs.minAtoms[i].getBondedAtomIndexes(); in setData()
21 double koop = ((CalculationsMMFF)calcs).mmff.getOutOfPlaneParameter(list); in setData()
34 calcs.setOopVariables(this, false); in compute()
39 if (calcs.gradients) { in compute()
41 calcs.addForces(this, 4); in compute()
44 if (calcs.logging) in compute()
45 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_OOP, this)); in compute()
H A DMMFFVDWCalc.java9 a = calcs.minAtoms[ia]; in setData()
10 b = calcs.minAtoms[ib]; in setData()
11 double[] dataA = (double[]) calcs.getParameter(a.vdwKey); in setData()
12 double[] dataB = (double[]) calcs.getParameter(b.vdwKey); in setData()
47 calcs.setPairVariables(this); in compute()
56 if (calcs.gradients) { in compute()
66 calcs.addForces(this, 2); in compute()
69 if (calcs.logging && Math.abs(energy) > 0.1) in compute()
70 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_VDW, this)); in compute()
H A DMMFFDistanceCalc.java19 Object data = calcs.getParameterObj(bond); in setData()
31 calcs.setPairVariables(this); in compute()
37 if (calcs.gradients) { in compute()
39 calcs.addForces(this, 2); in compute()
42 if (calcs.logging) in compute()
43 calcs.appendLogData(calcs.getDebugLine(Calculations.CALC_DISTANCE, this)); in compute()
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dmixing.py9 def __init__(self, calcs, weights, atoms=None): argument
22 if len(calcs) == 0:
25 for calc in calcs:
35 if len(weights) != len(calcs):
38 self.calcs = calcs
65 for calc in self.calcs:
123 def __init__(self, calcs, atoms=None): argument
132 weights = [1.] * len(calcs)
133 super().__init__(calcs, weights, atoms)
140 def __init__(self, calcs, atoms=None): argument
[all …]
/dports/math/R-cran-forcats/forcats/R/
H A Dlump.R86 calcs <- check_calc_levels(f, w) functionVar
87 f <- calcs$f
108 calcs <- check_calc_levels(f, w) functionVar
109 f <- calcs$f
115 prop_n <- calcs$count / calcs$total
142 calcs <- check_calc_levels(f, w) functionVar
143 f <- calcs$f
150 rank <- rank(calcs$count, ties.method = ties.method)
153 rank <- rank(-calcs$count, ties.method = ties.method)
176 calcs <- check_calc_levels(f, NULL) functionVar
[all …]
/dports/multimedia/libv4l/linux-5.13-rc2/drivers/gpu/drm/amd/display/dc/calcs/
H A DMakefile53 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_ccflags)
54 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_ccflags)
55 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_ccflags) -Wno-tautological-compare
56 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_rcflags)
57 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_rcflags)
58 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_rcflags)
66 AMD_DAL_BW_CALCS = $(addprefix $(AMDDALPATH)/dc/calcs/,$(BW_CALCS))
/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/gpu/drm/amd/display/dc/calcs/
H A DMakefile53 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_ccflags)
54 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_ccflags)
55 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_ccflags) -Wno-tautological-compare
56 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_rcflags)
57 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_rcflags)
58 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_rcflags)
66 AMD_DAL_BW_CALCS = $(addprefix $(AMDDALPATH)/dc/calcs/,$(BW_CALCS))
/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/gpu/drm/amd/display/dc/calcs/
H A DMakefile53 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_ccflags)
54 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_ccflags)
55 CFLAGS_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_ccflags) -Wno-tautological-compare
56 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calcs.o := $(calcs_rcflags)
57 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_auto.o := $(calcs_rcflags)
58 CFLAGS_REMOVE_$(AMDDALPATH)/dc/calcs/dcn_calc_math.o := $(calcs_rcflags)
66 AMD_DAL_BW_CALCS = $(addprefix $(AMDDALPATH)/dc/calcs/,$(BW_CALCS))
/dports/www/grafana8/grafana-8.3.6/public/app/features/variables/inspect/
H A Dutils.test.ts421 calcs: [],
483 calcs: [],
545 calcs: [],
609 calcs: [],
688 calcs: [],
750 calcs: [],
812 calcs: [],
876 calcs: [],
956 calcs: [],
1018 calcs: [],
[all …]
/dports/www/grafana8/grafana-8.3.6/packages/grafana-data/src/field/
H A DfieldDisplay.test.ts57 calcs: [],
69 calcs: [],
81 calcs: [],
225 calcs: [],
244 calcs: [],
267 calcs: [],
309 calcs: [],
335 calcs: [],
361 calcs: [],
391 calcs: [],
[all …]
/dports/finance/R-cran-PerformanceAnalytics/PerformanceAnalytics/R/
H A Dapply.rolling.R40 calcs = matrix() functionVar
55 calcs = rbind(calcs, calc)
57 calcs = xts(calcs[-1],order.by=dates[steps])
58 result = merge(result, calcs)
/dports/science/py-pyscf/pyscf-2.0.1/doc_legacy/source/nao/examples/
H A Dsubmit_jobs.py52 calcs = xyz_range[start:end] variable
54 for i, xyz in enumerate(calcs[0:calcs.shape[0]]):
67 fcalc = calcs[0]
68 ecalc = calcs[calcs.shape[0]-1]+25
/dports/www/grafana8/grafana-8.3.6/public/app/plugins/panel/piechart/
H A Dmigrations.ts47 …options.legend = { placement: 'right', values: [], displayMode: LegendDisplayMode.Table, calcs: []…
50 options.reduceOptions = { calcs: [] };
53 options.reduceOptions.calcs = ['lastNotNull'];
56 options.reduceOptions.calcs = ['min'];
59 options.reduceOptions.calcs = ['max'];
62 options.reduceOptions.calcs = ['mean'];
65 options.reduceOptions.calcs = ['sum'];
/dports/math/p5-Math-BaseCalc/Math-BaseCalc-1.019/t/
H A D02_digit_dash.t12 my @calcs;
13 push(@calcs, new Math::BaseCalc(digits => [ '0', '&' ]));
14 push(@calcs, new Math::BaseCalc(digits => [ '0', '-' ]));
16 for my $calcX ( @calcs ) {
H A D06_digit_dot.t12 my @calcs;
13 push(@calcs, new Math::BaseCalc(digits => [ '0', '&' ]));
14 push(@calcs, new Math::BaseCalc(digits => [ '0', '.' ]));
16 for my $calcX ( @calcs ) {

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