evaleev libint issues - Githubissues

evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

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libint-compiler: Fix build on mingw-w64

#344 MehdiChinoune opened 2 weeks ago
0
Couldn't clone libint repo on Windows

#343 MehdiChinoune opened 2 weeks ago
1
[cmake] Fix building on MinGW-w64

#342 MehdiChinoune closed 2 weeks ago
2
Error during installation...

#341 Physfock opened 4 weeks ago
1
Allow access to Cartesian multipole derivatives

#340 EricaCMitchell opened 1 month ago
0
check CI status

#339 loriab closed 1 month ago
0
can't cross compiling for Android

#338 leleliu008 opened 1 month ago
2
replace _MSC_VER with WIN32 in boys.h

#337 tjira closed 2 months ago
0
Compact automatic auxiliary basis sets

#336 susilehtola opened 3 months ago
0
l->symbol maps condensed to 1 definition for non-Python code

#335 evaleev closed 3 months ago
0
bump Catch2 to 2.13.10, resolves #328

#334 evaleev closed 3 months ago
0
can use modularized Boost, even if built as part of the main project

#333 evaleev closed 3 months ago
0
Can't use Boost build using CMake (aka modularized Boost)

#332 evaleev closed 3 months ago
1
add soversion to lone shared lib

#331 loriab closed 4 months ago
0
Libint2 library is not soversioned

#330 susilehtola closed 4 months ago
1
increase tenno function interpolation table to support m<=36

#329 evaleev closed 4 months ago
0
Update catch.hpp

#328 hrnagel closed 3 months ago
1
narrow down the distribution of cartesian coordinates of shells produced by RandomShellSet

#327 evaleev closed 4 months ago
0
stochastic failures of tests/eri

#326 evaleev closed 4 months ago
0
AM symbols list

#325 loriab closed 4 months ago
0
fix BOOST_PP-related dispatch bug that affects 3-center derivatives when configured with `--with-max-am=X --with-eri3-max-am=Y`

#324 evaleev closed 4 months ago
0
erf-attenuated nuclear integrals

#323 philippwo closed 5 months ago
2
update libtool to 2.4.7 + update config.{guess,sub} to 2024-01-01

#322 evaleev closed 5 months ago
0
`config.{sub,guess}` are out of date

#321 evaleev closed 5 months ago
1
make fails if `python` is not found

#320 hejamu closed 5 months ago
3
fix CI for setuptools=69

#319 loriab closed 5 months ago
0
mac+shared+fortran broken

#318 loriab opened 5 months ago
6
full cmake 7/N: library

#317 loriab opened 5 months ago
0
use bzip2 for exported libraries to save space

#316 evaleev opened 6 months ago
3
full cmake 6/N: generator

#315 loriab opened 6 months ago
0
full cmake 5/N: prerequisites

#314 loriab opened 6 months ago
0
full cmake 4/N: remainder of config.h

#313 loriab opened 6 months ago
0
full cmake 3/N: orderings and configuration passing

#312 loriab opened 6 months ago
0
clang-format.sh uses bash

#311 evaleev closed 6 months ago
0
clang-format.sh only works with shells supporting `[[ ]]` conditionals

#310 evaleev closed 6 months ago
2
full cmake 2/N: integral classes and AM configuration

#309 loriab opened 6 months ago
1
Assertion failure crash while computing 3-center ERI derivatives

#308 smparker closed 4 months ago
5
fixup `dvi` and `html` builds in `progman`

#307 evaleev closed 6 months ago
0
Library has no soversion

#306 susilehtola closed 6 months ago
5
disables detection/use of `latex2html` by default

#305 evaleev closed 6 months ago
0
Reorder W integrals

#304 JonathonMisiewicz closed 6 months ago
0
it straight up doesn't work

#303 33MarGomez closed 6 months ago
2
Update solidharmonics.h

#302 JonathonMisiewicz closed 6 months ago
0
HTML documentation isn't generated

#301 susilehtola opened 6 months ago
6
release 2.8.1

#300 evaleev closed 6 months ago
0
full cmake 1/N: git and ref in configuration.cc

#299 loriab closed 1 month ago
4
2.8.0 release

#298 evaleev closed 3 months ago
8
... and clang-format for all

#297 evaleev closed 6 months ago
0