xtp - OpenGrok cross reference for /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/include/votca/xtp/

Name		Date	Size	#Lines	LOC
..		19-Sep-2021	-
ERIs.h	H A D	19-Sep-2021	3.4 KiB	106	59
GaussianQuadratureBase.h	H A D	19-Sep-2021	2.1 KiB	82	45
ImaginaryAxisIntegration.h	H A D	19-Sep-2021	2 KiB	71	37
IncrementalFockBuilder.h	H A D	19-Sep-2021	3.4 KiB	107	71
IndexParser.h	H A D	19-Sep-2021	1.3 KiB	51	16
adiis.h	H A D	19-Sep-2021	1.2 KiB	49	19
adiis_costfunction.h	H A D	19-Sep-2021	2.2 KiB	75	44
amplitude_integration.h	H A D	19-Sep-2021	1.3 KiB	48	21
anderson_mixing.h	H A D	19-Sep-2021	1.9 KiB	66	22
aobasis.h	H A D	19-Sep-2021	2.7 KiB	110	54
aomatrix.h	H A D	19-Sep-2021	3.1 KiB	109	65
aopotential.h	H A D	19-Sep-2021	2.9 KiB	102	62
aoshell.h	H A D	19-Sep-2021	4.3 KiB	167	104
aotransform.h	H A D	19-Sep-2021	3.4 KiB	101	58
atom.h	H A D	19-Sep-2021	2.6 KiB	98	57
atomcontainer.h	H A D	19-Sep-2021	5.5 KiB	213	149
basisset.h	H A D	19-Sep-2021	4 KiB	164	90
bfgs_trm.h	H A D	19-Sep-2021	2.8 KiB	98	51
bse.h	H A D	19-Sep-2021	4.9 KiB	160	107
bse_operator.h	H A D	19-Sep-2021	2.8 KiB	93	45
bse_population.h	H A D	19-Sep-2021	2 KiB	79	44
bsecoupling.h	H A D	19-Sep-2021	3.6 KiB	112	57
bseoperator_btda.h	H A D	19-Sep-2021	4.9 KiB	155	105
calculatorfactory.h	H A D	19-Sep-2021	1.3 KiB	56	23
chargecarrier.h	H A D	19-Sep-2021	2.4 KiB	85	54
checkpoint.h	H A D	19-Sep-2021	1.7 KiB	69	37
checkpoint_utils.h	H A D	19-Sep-2021	2.9 KiB	109	65
checkpointreader.h	H A D	19-Sep-2021	8.5 KiB	309	228
checkpointtable.h	H A D	19-Sep-2021	5.8 KiB	217	155
checkpointwriter.h	H A D	19-Sep-2021	9.5 KiB	328	252
classicalsegment.h	H A D	19-Sep-2021	1.8 KiB	67	34
convergenceacc.h	H A D	19-Sep-2021	3.4 KiB	130	88
couplingbase.h	H A D	19-Sep-2021	1.8 KiB	66	28
cubefile_writer.h	H A D	19-Sep-2021	1.5 KiB	58	25
cudamatrix.h	H A D	19-Sep-2021	5.8 KiB	199	133
cudapipeline.h	H A D	19-Sep-2021	4.9 KiB	168	100
davidsonsolver.h	H A D	19-Sep-2021	8.7 KiB	272	175
density_integration.h	H A D	19-Sep-2021	1.8 KiB	65	34
dftcoupling.h	H A D	19-Sep-2021	2.2 KiB	74	32
dftengine.h	H A D	19-Sep-2021	4.4 KiB	157	85
diis.h	H A D	19-Sep-2021	1.3 KiB	53	22
dipoledipoleinteraction.h	H A D	19-Sep-2021	5.5 KiB	182	134
ecpaobasis.h	H A D	19-Sep-2021	2.3 KiB	85	40
ecpbasisset.h	H A D	19-Sep-2021	3.8 KiB	151	88
eeinteractor.h	H A D	19-Sep-2021	3.4 KiB	119	69
eigen.h	H A D	19-Sep-2021	4.4 KiB	165	113
energy_costfunction.h	H A D	19-Sep-2021	2.6 KiB	94	56
energy_terms.h	H A D	19-Sep-2021	2.7 KiB	94	54
esp2multipole.h	H A D	19-Sep-2021	2.2 KiB	82	39
espfit.h	H A D	19-Sep-2021	2.5 KiB	86	43
filterfactory.h	H A D	19-Sep-2021	1.3 KiB	52	22
forces.h	H A D	19-Sep-2021	1.8 KiB	70	35
gaussianwriter.h	H A D	19-Sep-2021	2.1 KiB	69	38
geometry_optimization.h	H A D	19-Sep-2021	1.9 KiB	77	41
glink.h	H A D	19-Sep-2021	1.5 KiB	56	29
gnode.h	H A D	19-Sep-2021	2.4 KiB	82	51
grid.h	H A D	19-Sep-2021	2.1 KiB	79	37
grid_containers.h	H A D	19-Sep-2021	1.5 KiB	59	27
gridbox.h	H A D	19-Sep-2021	3.1 KiB	110	68
gw.h	H A D	19-Sep-2021	5.1 KiB	163	114
gwbse.h	H A D	19-Sep-2021	2.5 KiB	105	46
gwbseengine.h	H A D	19-Sep-2021	2.4 KiB	92	40
gyration.h	H A D	19-Sep-2021	1.5 KiB	61	28
hist.h	H A D	19-Sep-2021	3.1 KiB	121	82
huffmantree.h	H A D	19-Sep-2021	7.8 KiB	235	128
job.h	H A D	19-Sep-2021	4.6 KiB	162	116
jobcalculator.h	H A D	19-Sep-2021	1.9 KiB	67	31
jobcalculatorfactory.h	H A D	19-Sep-2021	1.4 KiB	56	23
jobtopology.h	H A D	19-Sep-2021	3.5 KiB	111	58
kmccalculator.h	H A D	19-Sep-2021	2.7 KiB	94	58
logger.h	H A D	19-Sep-2021	6.4 KiB	243	141
make_libint_work.h	H A D	19-Sep-2021	1,010	31	10
matrixfreeoperator.h	H A D	19-Sep-2021	2.9 KiB	101	63
md2qmengine.h	H A D	19-Sep-2021	1.5 KiB	56	25
mmregion.h	H A D	19-Sep-2021	2.5 KiB	93	48
molden.h	H A D	19-Sep-2021	2.6 KiB	89	54
nbo.h	H A D	19-Sep-2021	1,020	40	9
newton_rapson.h	H A D	19-Sep-2021	2.2 KiB	86	45
openmp_cuda.h	H A D	19-Sep-2021	6.4 KiB	203	108
optimiser_costfunction.h	H A D	19-Sep-2021	1.4 KiB	49	20
orbitals.h	H A D	19-Sep-2021	12.4 KiB	435	253
orbreorder.h	H A D	19-Sep-2021	2.3 KiB	78	40
paircalculator.h	H A D	19-Sep-2021	1.8 KiB	73	37
parallelxjobcalc.h	H A D	19-Sep-2021	3.5 KiB	119	59
polarregion.h	H A D	19-Sep-2021	2.6 KiB	97	49
polarsite.h	H A D	19-Sep-2021	4.3 KiB	167	95
populationanalysis.h	H A D	19-Sep-2021	1.8 KiB	64	26
ppm.h	H A D	19-Sep-2021	1.5 KiB	60	25
progressobserver.h	H A D	19-Sep-2021	2.5 KiB	90	49
qmatom.h	H A D	19-Sep-2021	2.4 KiB	98	52
qmcalculator.h	H A D	19-Sep-2021	1.4 KiB	56	23
qmfragment.h	H A D	19-Sep-2021	3.6 KiB	144	90
qmmolecule.h	H A D	19-Sep-2021	1.9 KiB	66	35
qmnblist.h	H A D	19-Sep-2021	1.8 KiB	69	31
qmpackage.h	H A D	19-Sep-2021	4.2 KiB	149	88
qmpackagefactory.h	H A D	19-Sep-2021	1.5 KiB	54	24
qmpair.h	H A D	19-Sep-2021	3.8 KiB	153	99
qmregion.h	H A D	19-Sep-2021	2.9 KiB	115	58
qmstate.h	H A D	19-Sep-2021	4.3 KiB	177	104
qmthread.h	H A D	19-Sep-2021	1.7 KiB	69	30
qmtool.h	H A D	19-Sep-2021	1.5 KiB	57	24
quadrature_factory.h	H A D	19-Sep-2021	1.4 KiB	56	23
radial_euler_maclaurin_rule.h	H A D	19-Sep-2021	14.7 KiB	504	358
rate_engine.h	H A D	19-Sep-2021	1.6 KiB	59	28
region.h	H A D	19-Sep-2021	2.7 KiB	107	51
regular_grid.h	H A D	19-Sep-2021	2.3 KiB	73	38
rpa.h	H A D	19-Sep-2021	3 KiB	107	59
segid.h	H A D	19-Sep-2021	2.4 KiB	92	51
segment.h	H A D	19-Sep-2021	3.4 KiB	123	66
segmentmapper.h	H A D	19-Sep-2021	4.2 KiB	143	94
sigma_base.h	H A D	19-Sep-2021	2.6 KiB	89	50
sigmafactory.h	H A D	19-Sep-2021	1.4 KiB	55	24
sphere_lebedev_rule.h	H A D	19-Sep-2021	5.1 KiB	142	99
stateapplication.h	H A D	19-Sep-2021	1.4 KiB	55	25
statefilter_base.h	H A D	19-Sep-2021	2.3 KiB	83	38
statesaver.h	H A D	19-Sep-2021	1.2 KiB	53	21
statetracker.h	H A D	19-Sep-2021	2 KiB	73	34
staticregion.h	H A D	19-Sep-2021	1.8 KiB	62	29
staticsite.h	H A D	19-Sep-2021	3.6 KiB	142	84
symmetric_matrix.h	H A D	19-Sep-2021	2.1 KiB	81	37
threecenter.h	H A D	19-Sep-2021	3.4 KiB	127	62
toolfactory.h	H A D	19-Sep-2021	1.2 KiB	53	21
topology.h	H A D	19-Sep-2021	3.1 KiB	110	53
trustregion.h	H A D	19-Sep-2021	2.4 KiB	80	47
vc2index.h	H A D	19-Sep-2021	1.5 KiB	59	23
version.h	H A D	19-Sep-2021	1.1 KiB	39	11
votca_xtp_config.h.in	H A D	19-Sep-2021	1,012	38	30
vxc_functionals.h	H A D	19-Sep-2021	11.6 KiB	310	273
vxc_grid.h	H A D	19-Sep-2021	3 KiB	96	60
vxc_potential.h	H A D	19-Sep-2021	1.9 KiB	68	35
xtpapplication.h	H A D	19-Sep-2021	2.1 KiB	75	38