Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / grimme-lab/xtb4stda issues and pull requests
#17 - compiling 64bits version
Issue -
State: open - Opened by wever 4 months ago
- 1 comment
#16 - Segmentation Fault Error in stda-xtb Calculations for Large Molecule
Issue -
State: open - Opened by Wilson-0419 8 months ago
- 3 comments
#15 - Will xtb4stda still support new elements?
Issue -
State: open - Opened by lihaoran-001 about 2 years ago
- 2 comments
#14 - Vibronic spectral calculation by sTDA-xTB?
Issue -
State: closed - Opened by proexcuse over 2 years ago
- 1 comment
#13 - Add build options for Windows
Pull Request -
State: closed - Opened by shoubhikraj almost 3 years ago
- 4 comments
#12 - Calculation suddenly stops during sTD-DFT procedure, "matrix power impossible"
Issue -
State: closed - Opened by brigreens almost 3 years ago
- 2 comments
#11 - Implement new solvents/solvation models that have been implemented in xTB
Issue -
State: open - Opened by shoubhikraj about 3 years ago
- 2 comments
#10 - Adds missing `gfnver` argument for xbasis function.
Pull Request -
State: closed - Opened by Zymergen-jvandezande about 4 years ago
- 4 comments
#9 - add MACOS option for makefile
Issue -
State: open - Opened by shomikverma over 4 years ago
- 8 comments
#8 - Allow dynamic compilation
Pull Request -
State: closed - Opened by pierre-24 over 4 years ago
- 4 comments
#7 - Increase the size of xtb4stdahome
Pull Request -
State: closed - Opened by pierre-24 over 4 years ago
- 3 comments
#7 - Increase the size of xtb4stdahome
Pull Request -
State: closed - Opened by pierre-24 over 4 years ago
- 3 comments
#6 - Crash on multiple machines
Issue -
State: closed - Opened by RaphaelRobidas almost 5 years ago
- 3 comments
#5 - better build matrix for Travis CI
Pull Request -
State: closed - Opened by awvwgk about 5 years ago
#4 - 64 bit integer interface for MKL backend
Pull Request -
State: closed - Opened by awvwgk about 5 years ago
#3 - MKL error with a large number of atoms
Issue -
State: closed - Opened by pierre-24 about 5 years ago
- 5 comments
#2 - Use the "new" (?) xcontrol
Issue -
State: open - Opened by pierre-24 about 5 years ago
- 2 comments
Labels: unlikely
#1 - Interface between sTDA and xTB
Issue -
State: closed - Opened by ghutchis over 5 years ago
- 12 comments