source: src/bin/mpqc@ 97a6bc

Name Size Rev Age Author Last Change
../
sample 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
validate 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
ccarun.in 12.1 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
ccarunproc 1.1 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
LIBS.h 547 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
Makefile 7.0 KB ​ 737c47   13 years FrederikHeber MPQC now uses SamplingGrid as information container for sampled density.
mpqc.cc 68.7 KB ​ 97a6bc   9 years FrederikHeber MPQCData has additional atomicnumbers which we need to fill.
mpqc.dox 622 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqccomp.dox 179 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcin.cc 17.4 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcin.h 3.6 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcinp.dox 586 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqclic.dox 275 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcoo.dox 38.1 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcover.dox 703 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcrun.dox 5.3 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcrun.in 18.5 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcrunning.dox 12.8 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcrunproc 992 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcsimp.dox 8.1 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcval.dox 5.2 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
mpqcwar.dox 263 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
parse.cc 43.3 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
parse.h 3.4 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
parse.yy 6.2 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
scan.cc 48.6 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
scan.ll 3.0 KB ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
version.h 27 bytes ​ 5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
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