ChangeLog

----------------
Nov16, 2022
Name: Xin Jing
* Update force and stress expression
* Update default TOL_SCF model for energy and force accuracy
* Update testsuite
* Add one error message in d3 initialization

  ----------------
+Nov 14, 2022
+Name: Shashikant Kumar
+* Updated testing suite
* Updated doc/manual
* Updated text in the end of .out file

  ----------------
+Nov 10, 2022
+Name: Shashikant Kumar
+* Updated testing suite
* Added SPMS pseudopotentials
 
 ----------------
+Oct 26, 2022
+Name: David Codony
+* Fix a bug in relaxation when LBFGS converges in 1 step.

----------------
Oct 16, 2022
Name: Boqin Zhang
* Add missed NLCC into vdW-DF and SCAN
* Add missed reference of vdW-DF

----------------
Sep 28, 2022
Name: Xin Jing
* Add SOC

----------------
Sep 26, 2022
Name: Xin Jing
* Add hybrid 
* fix a bug in NLCC
* use the same kpt grid as SPARC

----------------
Aug 18, 2022
Name: Boqin Zhang
* Add spin-polarized vdW-DF


----------------
Jun 30, 2022
Name: Boqin Zhang
* Modify Lanczos for SCAN


----------------
Jun 23, 2022
Name: Boqin Zhang
* Add spin-polarized SCAN functional


----------------
May 15, 2022
Name: Boqin Zhang
* Add scan exchange-correlation functional and metaGGA functions
* Add description of vdW-DF files, and modify the line seperators in these files
* Fix the bug of printing Cartesian coordinates


----------------
Feb 13, 2022
Name: Boqin Zhang
* Add vdW-DF1 and vdW-DF2 feature


----------------
Dec 22, 2021
Name: Qimen Xu, Taehee Ko (Penn State University)
* Fix an issue with phase factor in nonlocal force calculation.


----------------
Dec 21, 2021
Name: Shashikant Kumar
* Modify the slow tests in the test-suite


----------------
Dec 18, 2021
Name: Boqin Zhang
* Add DFT-D3 feature


----------------
Sep 20, 2021
Name: Xin Jing
* Add GGA_RPBE, GGA_PBEsol
* Add reference_cuoff warnings
* Replace PulayRestartFreq with PulayRestartFlag


----------------
Sep 19, 2021
Name: Shashikant Kumar
* Updated reference output files in tests folder
* Changed CELL to LATVEC_SCALE in tests folder
* Removed the saving workspace for each runs
* Added NLCC tests


----------------
Sep 16, 2021
Name: Xin Jing
* Add LATVEC_SCALE option
* Add magnetization mixing method
* Add NLCC
* udpate documentation
* Capitalize all Error and Warning
* Fix a bug in spherical harmonics

----------------
July 9, 2021
Name: Shashikant Kumar
* Changed Readme.md and doc manual to make it consistent with the new tests folder

----------------
June 16, 2021
Name: Shashikant Kumar
* Added the testing suite and the python framework
* Deleted the old "tests" folder

----------------
Oct 07, 2020
Name: Qimen Xu
* Modify pseudopotential reading to support TM potentials.


----------------
Jul 27, 2020
Name: Qimen Xu
* Fix the atom type in the cnt.ion file at tests/IllustrativeExamples/CNT/, the answer of this test is not changed.


----------------
Jun 20, 2020
Name: Qimen Xu
* Use max and min of S.EigVal instead of assuming it's ordered ascendingly.


----------------
Jun 01, 2020
Name: Qimen Xu
* Correct the relative src/ path run_examples.m in tests/examples.
* Modify readPseudopot.m to be consistent with SPARC, so that it can handle special psp8 pseudopotentials (e.g., He with lloc = 0).


----------------
Feb 03, 2020
Name: Qimen Xu
* Update documentation and README.md, add link to SG15 ONCV potentials.
* Move examples/ directory to under tests/.
* Add M-SPARC version to .out file.
* Print boundary conditions in the form of `BC: P P D` in .out file.
* Rerun tests and update the reference output files.