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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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--enable-fortran not propageted from libint-compiler configure to exported library
#145
mbanck
opened
4 years ago
1
libint-2.7.0-beta.1: out-of-tree build with CMake broken
#144
dev-zero
closed
4 years ago
1
Unittest c-api failed
#143
bimalgaudel
closed
5 years ago
0
Fix CMake build of Fortran interface
#142
pseewald
closed
5 years ago
0
Produce static (PIC) and shared versions of the int2 library in the cmake project
#141
francesco-bosia
closed
5 years ago
7
Cannot enable Fortran binding generation
#140
slacalle
closed
5 years ago
5
no CMakeLists.txt found
#139
ghost
closed
5 years ago
2
fix #136 (out-of-tree builds with Fortran)
#138
pseewald
closed
5 years ago
0
Python3 incompatible test
#137
Micket
closed
5 years ago
3
Fortran interface errors in out-of-tree builds
#136
mbanck
closed
5 years ago
1
ninja: build stopped: subcommand failed.
#135
ajaypanyala
closed
5 years ago
1
<any> error on macos with clang
#134
ajaypanyala
closed
5 years ago
0
no makefile generated in build/src/lib/libint/src
#133
ghost
closed
5 years ago
3
cc-pvtz basis not matching basissetexchange.org
#132
hongzhouye
closed
5 years ago
2
Build libint on windows failed
#131
liye0005
opened
5 years ago
2
undefined reference to `libint2_*`
#130
uovie
closed
5 years ago
1
GMP path setup
#129
lqhenwunai
closed
4 years ago
1
Direct internal Boost install in exported lib to proper directory
#128
wavefunction91
closed
5 years ago
0
Fortran interface: fix dimensions of 3-center ERI function pointer arrays
#127
pseewald
closed
5 years ago
2
Error for compile bagle with interface to libint
#126
okunoyukihiro
closed
5 years ago
3
Vectorization from Jon
#125
evaleev
closed
5 years ago
0
libint::read_dotxyz_pbc reads a PBC-extended XYZ file.
#124
evaleev
closed
5 years ago
0
Export COs to molden
#123
mclement1
closed
5 years ago
0
cmake build of version 1-2-1 (patch level 13) doesn't install libr12.h
#122
yurivict
opened
5 years ago
2
release 2.5.0 - boost preprocessor not found
#121
ajaypanyala
closed
5 years ago
3
add pkgconfig file to cmake build system
#120
loriab
closed
5 years ago
3
Possibility of segmentation fault in compute_2body_fock_deriv (in hartree-fock++.cc)
#119
swillow
closed
5 years ago
1
HF++ wrong integrals when using Intel19 compilers
#118
ajaypanyala
closed
5 years ago
3
include/libint2/diis.h
#117
swillow
closed
5 years ago
2
Add user defined libint2::Operator to calculate exchange correlation matrix
#116
tgzhou98
closed
5 years ago
1
needs `#include <limits>` in `include/libint2/numeric.h`
#115
hongzhouye
closed
5 years ago
0
libtool hardcodes paths into .la files
#114
matt-chan
closed
5 years ago
4
Fortran documentation
#113
pseewald
closed
5 years ago
0
Some headers aren't installed by cmake
#112
yurivict
opened
5 years ago
5
cmake scripts don't install libderiv.so.1, libderiv.so.1.0.0, libint.so.1, libint.so.1.0.0
#111
yurivict
opened
5 years ago
4
Build fails when options --enable-eri=1 etc are given
#110
yurivict
closed
5 years ago
2
Build isn't parallelized, and takes a long time
#109
yurivict
closed
5 years ago
1
Please add the option to use the preinstalled boost
#108
yurivict
closed
5 years ago
0
Missing #include <time.h> in src/bin/libint/tactic.h
#107
yurivict
closed
5 years ago
0
Compilation error with v2.5.0-beta2
#106
mcjinye
closed
5 years ago
3
Question: how do I correctly include libint2.h in pure C code?
#105
zc62
closed
6 years ago
1
Fix version in CMake file
#104
raimis
closed
6 years ago
0
test HF compile errors when using gcc-7.2 with -std=c++1z flag
#103
ajaypanyala
closed
6 years ago
4
Wrong sizes of libint2_build_3eri
#102
pseewald
closed
6 years ago
1
Segmentation fauls in build_libint on FreeBSD
#101
yurivict
opened
6 years ago
3
Port to Windows
#100
raimis
closed
6 years ago
6
Wrong numerical value produced for electrostatic potential
#99
bruneval
closed
6 years ago
8
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
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