Comments (1)
I believe high angular momentum up to l=15 was supported in the relatively new versions. https://github.com/sunqm/libcint/blob/master/include/cint.h.in#L124
from libcint.
Related Issues (20)
- Primitive integrals/contraction coefficients HOT 2
- Printing Libcint version HOT 1
- different 1e-int between pyscf and libcint with comp > 1 HOT 2
- Make test HOT 2
- 6.0.0: test suite is fau=iling HOT 2
- Add some more accessible note that the first 20 zeros in env are important. HOT 2
- The order of output data for basis with higher angular HOT 1
- How can I compile Fortran codes using libcint? HOT 2
- Semantic versioning HOT 1
- Is there a way to get integrals by basis functions? HOT 3
- Normalized (cartesian) overlap integrals HOT 4
- Building fill_int2c HOT 1
- SIGSEGV (Segmentation fault) with high angular momentum (large zeta) basis sets HOT 4
- Calling 4c1e integrals HOT 2
- Calling 4c1e integrals - segfault/double free HOT 1
- Sorting of p-orbitals (`-DPYPZPX` flag) HOT 2
- [Feature request] GPU support for faster calculations HOT 1
- Segmentation fault when calling function 3c2e_ip1 and 3c2e_ip2 HOT 2
- Support for Python 3.12 HOT 1
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from libcint.