source: src/lib/chemistry/molecule@ 42a775

Name Size Rev Age Author Last Change
../
tors.cc 5.7 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
taylor.h 2.3 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
taylor.cc 7.7 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
symmetrize.cc 2.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
symmcoor.cc 16.1 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
stre.cc 3.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
stors.cc 7.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
simple.h 20.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
simple.cc 5.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
redund.cc 3.4 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
out.cc 5.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
moltest.in 11.9 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
moltest.cc 10.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molsymm.cc 18.7 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molshape.h 5.7 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molshape.cc 40.3 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molrender.h 3.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molrender.cc 12.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molfreq.h 5.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molfreq.cc 18.1 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molecule.h 17.5 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
molecule.cc 36.4 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
Makefile 2.4 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
localdef.h 2.9 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
linop.cc 4.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
linkage.h 2.1 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
linip.cc 4.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
LIBS.h 267 bytes 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
imcoor.cc 34.1 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
hess.h 6.1 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
hess.cc 15.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
formula.h 1.9 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
formula.cc 3.3 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
fdhess.h 7.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
fdhess.cc 16.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
energy.h 9.2 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
energy.cc 21.8 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
coor.h 30.3 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
coor.cc 27.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
cartcoor.cc 4.6 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
bend.cc 4.6 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
atominfo.h 8.0 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
atominfo.cc 16.9 KB 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
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