Commits

Commits on Jan 27, 2024

Merge pull request SPARC-X#207 from YaphetS-jx/debug
phanish-suryanarayana
committedJan 27, 2024
1. Fix a bug when the cell is a rotated cuboidal, use non-orthogonal calculation for that
YaphetS-jx
committedJan 27, 2024

Commits on Oct 31, 2023

Merge pull request SPARC-X#206 from StevenZhangCSFM/NPT
phanish-suryanarayana
committedOct 31, 2023
add NPT_SCALE_CONSTRAINTS
StevenZhangCSFM
committedOct 31, 2023

Commits on Oct 29, 2023

Merge pull request SPARC-X#205 from alchem0x2A/master
phanish-suryanarayana
committedOct 29, 2023
Merge pull request SPARC-X#5 from alchem0x2A/build-fix
alchem0x2A
committedOct 29, 2023
further pin versions of conda build dependencies
alchem0x2A
committedOct 29, 2023
revert boa version
alchem0x2A
committedOct 29, 2023
revert to use original conda build
alchem0x2A
committedOct 29, 2023
Merge pull request SPARC-X#204 from YaphetS-jx/debug
phanish-suryanarayana
committedOct 29, 2023
Fix a bug in defining type of woccfac
YaphetS-jx
committedOct 29, 2023

Commits on Oct 21, 2023

Merge pull request SPARC-X#203 from alchem0x2A/master
phanish-suryanarayana
committedOct 21, 2023
use mambaforge in github CI
alchem0x2A
committedOct 21, 2023

Commits on Oct 19, 2023

Merge pull request SPARC-X#202 from shashikant193/master
phanish-suryanarayana
committedOct 19, 2023
Updated documentation
shashikant193
committedOct 19, 2023
Merge pull request SPARC-X#201 from shashikant193/master
phanish-suryanarayana
committedOct 19, 2023
Update ChangeLog
shashikant193
committedOct 19, 2023
Updated the Manual pdf and tex
shashikant193
committedOct 19, 2023
Update README.md
phanish-suryanarayana
committedOct 19, 2023

Commits on Sep 27, 2023

Merge pull request SPARC-X#200 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 27, 2023
fix bug in printing exact exchange energy densities
YaphetS-jx
committedSep 27, 2023

Commits on Sep 26, 2023

Merge pull request SPARC-X#199 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 26, 2023
Enable cyclix with DP only and update 1 test
YaphetS-jx
committedSep 26, 2023

Commits on Sep 23, 2023

Merge pull request SPARC-X#198 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 23, 2023
changes for GPU hooks
YaphetS-jx
committedSep 23, 2023
fix bug in exact exchange energy density
YaphetS-jx
committedSep 23, 2023

Commits on Sep 22, 2023

Merge pull request SPARC-X#197 from xuqimen/master
phanish-suryanarayana
committedSep 22, 2023
add band structure calculation
xuqimen
committedSep 22, 2023

Commits on Sep 21, 2023

Merge pull request SPARC-X#196 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 21, 2023

Commits on Sep 20, 2023

1. Distinguishing between SPARC and dev_SPARC
YaphetS-jx
committedSep 20, 2023

Commits on Sep 8, 2023

Merge pull request SPARC-X#195 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 8, 2023
add GPU hook for SQ
YaphetS-jx
committedSep 8, 2023

Commits on Sep 6, 2023

Merge pull request SPARC-X#194 from alchem0x2A/master
phanish-suryanarayana
committedSep 6, 2023
Squashed commit of the following:
alchem0x2A
committedSep 6, 2023

Commits on Sep 5, 2023

Merge pull request SPARC-X#193 from YaphetS-jx/dev
phanish-suryanarayana
committedSep 5, 2023