Commits

Commits on Sep 5, 2023

1. integrate spin and spinor wave function cases for eigen solver, xc, force, stress, etc
YaphetS-jx
committedSep 5, 2023

Commits on Aug 15, 2023

Merge pull request SPARC-X#192 from StevenZhangCSFM/add_rSCAN_r2SCAN
phanish-suryanarayana
committedAug 15, 2023
add headfile
StevenZhangCSFM
committedAug 15, 2023

Commits on Aug 1, 2023

Merge pull request SPARC-X#190 from StevenZhangCSFM/add_rSCAN_r2SCAN
phanish-suryanarayana
committedAug 1, 2023
add rscan
StevenZhangCSFM
committedAug 1, 2023

Commits on Jul 10, 2023

Merge pull request SPARC-X#188 from StevenZhangCSFM/add_rSCAN_r2SCAN
phanish-suryanarayana
committedJul 10, 2023
add_r2scan
StevenZhangCSFM
committedJul 10, 2023

Commits on Jun 27, 2023

Merge pull request SPARC-X#186 from YaphetS-jx/dev
phanish-suryanarayana
committedJun 27, 2023
decompose exchange and correlation functions
YaphetS-jx
committedJun 27, 2023

Commits on Jun 24, 2023

Merge pull request SPARC-X#185 from alchem0x2A/master
phanish-suryanarayana
committedJun 24, 2023
bug in version parsing if month >3-letter
alchem0x2A
committedJun 24, 2023

Commits on Jun 23, 2023

Merge pull request SPARC-X#184 from YaphetS-jx/dev_cyclix
phanish-suryanarayana
committedJun 23, 2023
Release cyclix with SOC, add documentation and testsuites
YaphetS-jx
committedJun 23, 2023

Commits on Jun 4, 2023

Update README.md
phanish-suryanarayana
committedJun 4, 2023

Commits on May 11, 2023

Merge pull request SPARC-X#179 from StevenZhangCSFM/err_nlcc_scan
phanish-suryanarayana
committedMay 11, 2023
errMsg nlcc scan
StevenZhangCSFM
committedMay 11, 2023
Update README.md
phanish-suryanarayana
committedMay 11, 2023

Commits on Apr 26, 2023

Merge pull request SPARC-X#175 from StevenZhangCSFM/mod-manual
phanish-suryanarayana
committedApr 26, 2023
modify manual introduction contributors citation
StevenZhangCSFM
committedApr 26, 2023

Commits on Apr 20, 2023

Merge pull request SPARC-X#171 from YaphetS-jx/dev
phanish-suryanarayana
committedApr 20, 2023

Commits on Apr 19, 2023

Switch from MPI_Reduce to MPI_Allreduce for avoiding unexpected MPI internal bug
YaphetS-jx
committedApr 19, 2023

Commits on Apr 14, 2023

Merge pull request SPARC-X#170 from YaphetS-jx/dev
phanish-suryanarayana
committedApr 14, 2023
fix a few compile warnings
YaphetS-jx
committedApr 14, 2023

Commits on Apr 11, 2023

Merge pull request SPARC-X#169 from YaphetS-jx/dev
phanish-suryanarayana
committedApr 11, 2023
change SPARCX_ACCEL flag
YaphetS-jx
committedApr 11, 2023

Commits on Apr 10, 2023

Merge pull request SPARC-X#168 from StevenZhangCSFM/vdW_topoFFT2
phanish-suryanarayana
committedApr 10, 2023
add FFT nproc confinements
StevenZhangCSFM
committedApr 10, 2023

Commits on Apr 8, 2023

Merge pull request SPARC-X#166 from YaphetS-jx/dev
phanish-suryanarayana
committedApr 8, 2023
Update default SCF tolerance and change documentation
YaphetS-jx
committedApr 8, 2023

Commits on Apr 3, 2023

Merge pull request SPARC-X#165 from StevenZhangCSFM/vdW_topoFFT2
phanish-suryanarayana
committedApr 3, 2023
remove a warning
StevenZhangCSFM
committedApr 3, 2023

Commits on Mar 31, 2023

Merge pull request SPARC-X#164 from YaphetS-jx/dev
phanish-suryanarayana
committedMar 31, 2023
change memory estimation
YaphetS-jx
committedMar 31, 2023
Merge pull request SPARC-X#163 from StevenZhangCSFM/vdW_topoFFT2
phanish-suryanarayana
committedMar 31, 2023
fix fft negative lengthk
StevenZhangCSFM
committedMar 31, 2023