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evaleev
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libint
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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resolves issue 97
#98
evaleev
closed
6 years ago
0
Problem with variadic macros
#97
gba
closed
6 years ago
2
Missing using statements and include
#96
mfherbst
closed
6 years ago
0
Problem with __FMA4__ intrinsics on ORNL Titan
#95
lukebroskop
closed
6 years ago
0
Fortran interface
#94
pseewald
closed
6 years ago
13
corrected typo in CITATION
#93
schneiderfelipe
closed
6 years ago
1
Fail configuration if Eigen is not found.
#92
ryanmrichard
closed
6 years ago
1
Def2-TZVP-C basis error
#91
calewis
closed
6 years ago
0
Autogenerated code error
#90
kmp5VT
closed
6 years ago
0
libint1: programming manual no longer builds in 1.2.1
#89
mbanck
closed
6 years ago
1
libint1: Autotools builds do not install cmake files
#88
mbanck
opened
6 years ago
0
BRA <--> KET swap + bug fix for precomputed shells in compute2
#87
wavefunction91
closed
6 years ago
1
Enabling 3-Center ERI derivatives throws exception in libint compiler
#86
wavefunction91
closed
6 years ago
2
Cygwin: compile error in comp_xyz.cc
#85
zosrothko
closed
6 years ago
0
Compilation error for libint2.h
#84
NiSchie
closed
7 years ago
0
CentOS 3.10 x64 wrong library path
#83
nabbelbabbel
closed
7 years ago
3
Make Libint buildable with Ninja
#82
robertodr
closed
7 years ago
0
Configuring fails with GMP 5.1/6.1
#81
TariniHardikar
closed
7 years ago
11
Opt Flags Warning
#80
calewis
closed
7 years ago
0
spherical multipole integrals
#79
evaleev
closed
7 years ago
0
higher AM for libint1
#78
loriab
closed
7 years ago
3
Adds alternate CMake build system to v1.
#77
loriab
closed
7 years ago
10
boost dependency
#76
ajaypanyala
closed
7 years ago
1
Update link to reflect new gaussian website layout
#75
mfherbst
closed
7 years ago
0
extra const correctness
#74
evaleev
closed
7 years ago
0
fixed include path handling of in-place vs installed headers to fix #72
#73
evaleev
closed
7 years ago
0
Allow compiling against libint2 by only specifying a single include directory
#72
mfherbst
closed
7 years ago
0
Smth like a bug in class libint2::Shell
#71
aoleynichenko
closed
7 years ago
2
basis set parsing broken w/ clang/OS X using UTF-8 locale
#70
evaleev
closed
8 years ago
0
Extra interfaces for engine compute.
#69
calewis
opened
8 years ago
0
Update INSTALL
#68
jdwhitfield
closed
8 years ago
0
--with-cxxgen-optflags appears to not be picked up by configure.
#67
calewis
closed
8 years ago
0
Multiple definitions upon link
#66
matteopcc
closed
7 years ago
3
basis sets are not parsed correctly
#65
evaleev
closed
8 years ago
1
assigning to 'value_type' (aka 'const double *') from incompatible type 'libint2::simd::VectorAVXDouble *'
#64
vonDonnerstein
closed
8 years ago
2
excessive library size
#63
evaleev
opened
8 years ago
0
Segmentation fault on minimal code snippet for L > 1
#62
wavefunction91
closed
8 years ago
6
Deriv engine
#61
evaleev
closed
8 years ago
0
Exported library for 2.1.0
#60
mbanck
closed
8 years ago
1
[trivial] Typo in --enable-eri2 help text
#59
mbanck
closed
8 years ago
0
Update hartree-fock++.cc
#58
swillow
closed
8 years ago
1
update cabs basis set in libint using cabs basis set files from MPQC3
#57
pchong90
closed
8 years ago
0
Possibility of moving definitions of certain functions and static member data to API CXX?
#56
wavefunction91
closed
8 years ago
0
Compilation error
#55
mcbennet
closed
8 years ago
7
Universal engine
#54
evaleev
closed
8 years ago
0
universal engine
#53
evaleev
closed
8 years ago
1
util/compressed_pair.h install
#52
calewis
closed
8 years ago
0
added CABS basis from OptRI series of basis sets
#51
pchong90
closed
8 years ago
0
added asserts to avoid user errors like in #48
#50
evaleev
closed
8 years ago
0
Wiki: using modern CPlusPlus interface, typo
#49
TApplencourt
closed
8 years ago
1
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