Commits · 84416bfe1095941528a30d26b95ae40184db4a90 · qbox / qbox-public

01 Feb, 2018 2 commits
- Reorganized stress tests as si4stress and si2stress · 84416bfe
```
Added .gitignore
```
  Francois Gygi committed Feb 01, 2018
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- Added tests for invalid bisection parameters · 7e0b69a5
  Francois Gygi committed Jan 31, 2018
  
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27 Jan, 2018 3 commits
- Adjust strain values in test/stress files · 5f7c1c77
  Francois Gygi committed Jan 26, 2018
  
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- Cleanup files in test/stress dir · 0d593a29
  Francois Gygi committed Jan 26, 2018
  
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- Add test of stress tensor · 9c5654fb
  Francois Gygi committed Jan 26, 2018
  
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15 Jan, 2018 1 commit
- Merged HSE implementation · 52e69764
  Francois Gygi committed Jan 14, 2018
  
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14 Jan, 2018 1 commit
- Merge branch 'hse-dev' into develop · fbb74219
  Francois Gygi committed Jan 14, 2018
  
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19 Nov, 2017 1 commit
- Add cstring header in ConstraintSet.C · 5b93ad80
  Francois Gygi committed Nov 18, 2017
  
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17 Nov, 2017 1 commit
- Fix force normalization in PairExtForce::energy · 72e55a8c
  Francois Gygi committed Nov 16, 2017
  
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15 Nov, 2017 3 commits

Fixed charge integral in ChargeDensity::update_rhor · 000b3db0
Francois Gygi committed Nov 15, 2017

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Fix long lines · 80f2730a
Francois Gygi committed Nov 14, 2017

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Merge branch 'develop' into hse-dev · 1c143539

Conflicts:
	src/ExchangeOperator.C
	src/ExchangeOperator.h
	src/KPGridConnectivity.C
	src/KPGridConnectivity.h
	src/Species.C
	src/XCPotential.h
	src/Xc.h
	src/notes
	util/cell.plt
	util/econst.plt
	util/econst_cmp.plt
	util/econste.plt
	util/econste_cmp.plt
	util/egap.sh
	util/etotal.plt
	util/etotal_cmp.plt
	util/etotal_int.plt
	util/etotal_int_cmp.plt
	util/force.plt
	util/kpgen/kpgen.C
	util/qbox_msd.py
	util/sigma.plt
	util/temp_ion.plt
	util/volume.plt

committed Nov 14, 2017

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08 Nov, 2017 1 commit
- Add zero volume test to run command · e9d66bfe
  Francois Gygi committed Nov 07, 2017
  
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02 Nov, 2017 1 commit
- Updated centos6.mk · 667cce09
  Francois Gygi committed Nov 02, 2017
  
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01 Nov, 2017 1 commit
- Updated notes · f9b90ade
  Francois Gygi committed Oct 31, 2017
  
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23 Oct, 2017 2 commits
- Implemented PSDA for complex wave functions · 058730d2
  Francois Gygi committed Oct 23, 2017
  
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- Update printing of electronic charge & net charge · 26c34952
  Francois Gygi committed Oct 23, 2017
  
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18 Oct, 2017 1 commit
- Add testSampleReader program · c102a324
  Francois Gygi committed Oct 18, 2017
  
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15 Oct, 2017 2 commits
- Add option to define constraint with current value · 8f857016
  Francois Gygi committed Oct 14, 2017
  
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- changed output format of constraint value, force · 35f2374d
  Francois Gygi committed Oct 14, 2017
  
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13 Oct, 2017 1 commit
- Changed logic of shifts: zero shifts include Gamma · e85f85d4
  Francois Gygi committed Oct 13, 2017
  
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12 Oct, 2017 1 commit
- Generate xyz file from kpoint file · 25f2f96c
  Francois Gygi committed Oct 12, 2017
  
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15 Sep, 2017 1 commit
- Changed bisection tolerance from 1.0 to 0.001 · 718452ca
  Francois Gygi committed Sep 15, 2017
  
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12 Sep, 2017 2 commits
- Update notes · 86cd05fb
  Francois Gygi committed Sep 12, 2017
  
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- Fix discontinuity in torsion constraint function · 5310d81c
  Francois Gygi committed Sep 12, 2017
  
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11 Sep, 2017 2 commits
- Fix test for negative scf_tol value · ee9efe55
  Francois Gygi committed Sep 11, 2017
  
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- New implementation of kpgen · f47d0c1b
  Francois Gygi committed Sep 11, 2017
  
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10 Sep, 2017 1 commit
- Added kpoint move functionality · 86be185c
  Francois Gygi committed Sep 09, 2017
  
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01 Sep, 2017 1 commit
- Merge branch 'upf2' into develop · dd1a11b6
  Francois Gygi committed Sep 01, 2017
  
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31 Aug, 2017 3 commits
- Updated release string · b27eb269
  Francois Gygi committed Aug 31, 2017
  
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- Added NLCC functionality · 45aea947
  Francois Gygi committed Aug 31, 2017
  
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- Implemented NL potential in UPF 2 format · ac8d7e60
  Francois Gygi committed Aug 30, 2017
  
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30 Aug, 2017 1 commit
- Implemented UPF 2 format for SL potentials · ff8a4840
  Francois Gygi committed Aug 30, 2017
  
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10 Aug, 2017 1 commit
- Fix end of line in rseed help msg. · feb88aea
  Francois Gygi committed Aug 10, 2017
  
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21 Jul, 2017 1 commit
- Removed enthalpy_int.plt · 6309a0ab
  Francois Gygi committed Jul 20, 2017
  
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16 Jul, 2017 1 commit
- Add util/enthalpy.plt script · e19b136a
  Francois Gygi committed Jul 15, 2017
  
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12 Jul, 2017 1 commit
- Added -range option to cell.plt and econste_cmp.plt · 8d051ce4
  Francois Gygi committed Jul 12, 2017
  
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07 Jun, 2017 2 commits
- Fix file headers · f030ffc0
  Francois Gygi committed Jun 07, 2017
  
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- Removed $Id strings · d2a3c52a
  Francois Gygi committed Jun 07, 2017
  
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31 May, 2017 1 commit
- updated sinft.C for multiple fft lib options · 453e1ccf
```
git-svn-id: http://qboxcode.org/svn/qb/branches/hse-dev@1927 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 31, 2017
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