calculators - OpenGrok cross reference for /dports/science/py-ase/ase-3.22.0/ase/calculators/

Name		Date	Size	#Lines	LOC
..		24-Jun-2021	-
demon/	H	24-Jun-2021	-	780	568
kim/	H	24-Jun-2021	-	1,744	1,300
lammps/	H	24-Jun-2021	-	802	618
openmx/	H	24-Jun-2021	-	3,494	3,097
siesta/	H	24-Jun-2021	-	2,139	1,667
vasp/	H	24-Jun-2021	-	4,318	3,482
__init__.py	H A D	24-Jun-2021	64	2	1
abc.py	H A D	24-Jun-2021	3.2 KiB	105	74
abinit.py	H A D	24-Jun-2021	4.6 KiB	149	96
acemolecule.py	H A D	24-Jun-2021	11.2 KiB	279	237
acn.py	H A D	24-Jun-2021	7.7 KiB	236	189
aims.py	H A D	24-Jun-2021	36.1 KiB	999	832
amber.py	H A D	24-Jun-2021	14.2 KiB	384	323
autodetect.py	H A D	24-Jun-2021	3.2 KiB	104	84
bond_polarizability.py	H A D	24-Jun-2021	4.5 KiB	160	118
calculator.py	H A D	24-Jun-2021	32.5 KiB	955	709
castep.py	H A D	24-Jun-2021	126.1 KiB	3,159	2,405
checkpoint.py	H A D	24-Jun-2021	10.3 KiB	306	246
combine_mm.py	H A D	24-Jun-2021	10.3 KiB	310	234
counterions.py	H A D	24-Jun-2021	2.7 KiB	90	69
cp2k.py	H A D	24-Jun-2021	23.8 KiB	627	533
crystal.py	H A D	24-Jun-2021	16.6 KiB	485	365
demonnano.py	H A D	24-Jun-2021	11.5 KiB	344	243
dftb.py	H A D	24-Jun-2021	21.5 KiB	570	453
dftd3.py	H A D	24-Jun-2021	19.3 KiB	427	297
dmol.py	H A D	24-Jun-2021	21.7 KiB	631	494
eam.py	H A D	24-Jun-2021	36.2 KiB	959	693
elk.py	H A D	24-Jun-2021	1.5 KiB	51	36
emt.py	H A D	24-Jun-2021	9.2 KiB	240	204
espresso.py	H A D	24-Jun-2021	6.2 KiB	155	124
excitation_list.py	H A D	24-Jun-2021	4.5 KiB	148	124
exciting.py	H A D	24-Jun-2021	6.3 KiB	175	148
ff.py	H A D	24-Jun-2021	6.7 KiB	165	156
fleur.py	H A D	24-Jun-2021	20.1 KiB	542	418
gamess_us.py	H A D	24-Jun-2021	4 KiB	100	79
gaussian.py	H A D	24-Jun-2021	4.1 KiB	139	106
general.py	H A D	24-Jun-2021	1.7 KiB	63	51
gromacs.py	H A D	24-Jun-2021	14.5 KiB	431	338
gulp.py	H A D	24-Jun-2021	13.7 KiB	363	290
h2morse.py	H A D	24-Jun-2021	6.7 KiB	212	159
harmonic.py	H A D	24-Jun-2021	3.1 KiB	99	78
idealgas.py	H A D	24-Jun-2021	1.1 KiB	32	24
interface.py	H A D	24-Jun-2021	4.5 KiB	137	100
lammpslib.py	H A D	24-Jun-2021	27.3 KiB	723	496
lammpsrun.py	H A D	24-Jun-2021	24.6 KiB	681	489
lj.py	H A D	24-Jun-2021	9.1 KiB	289	197
loggingcalc.py	H A D	24-Jun-2021	7 KiB	189	159
mixing.py	H A D	24-Jun-2021	5.7 KiB	156	113
mopac.py	H A D	24-Jun-2021	9.4 KiB	271	215
morse.py	H A D	24-Jun-2021	2.7 KiB	89	70
neighborlist.py	H A D	24-Jun-2021	129	6	4
nwchem.py	H A D	24-Jun-2021	6.3 KiB	154	131
octopus.py	H A D	24-Jun-2021	7.3 KiB	214	146
onetep.py	H A D	24-Jun-2021	26.2 KiB	701	568
orca.py	H A D	24-Jun-2021	6.1 KiB	177	142
psi4.py	H A D	24-Jun-2021	8 KiB	209	160
qchem.py	H A D	24-Jun-2021	7.1 KiB	167	123
qmmm.py	H A D	24-Jun-2021	31.4 KiB	892	672
singlepoint.py	H A D	24-Jun-2021	6.1 KiB	195	164
socketio.py	H A D	24-Jun-2021	25 KiB	717	515
test.py	H A D	24-Jun-2021	5.9 KiB	203	163
tip3p.py	H A D	24-Jun-2021	5.3 KiB	168	140
tip4p.py	H A D	24-Jun-2021	7.2 KiB	209	158
turbomole.py	H A D	24-Jun-2021	77.2 KiB	2,138	1,905
vdwcorrection.py	H A D	24-Jun-2021	13.3 KiB	380	298