Commits · 235f09b4765e9a16d50474cd93b1e1b5ddadb23c · qbox / qbox-public

02 Jan, 2015 1 commit

merge trunk into efield branch · 235f09b4


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1622 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jan 02, 2015

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01 Jan, 2015 2 commits

1.56.2-efield1 · decfcf37


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1620 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jan 01, 2015

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tag 1.56.2-efield1 · aa7762bc

git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1619 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jan 01, 2015

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31 Dec, 2014 4 commits

Implemented options OFF, BERRY, MLWF, MLWF_REF, MLWF_REF_Q. · 94032287

Implemented smooth sawtooth potential for MLWF_REF, MLWF_REF_Q options.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1618 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 31, 2014

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Redefine econst in terms of enthalpy. · b40c251a

Simplify printing of energy using EnergyFunctional print function.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1617 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 31, 2014

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Redefined enthalpy to include electric enthalpy and p*V · 6e2b9157
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1616 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Dec 31, 2014
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Added det_from_lu and signature functions. · fe0261ef
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1615 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Dec 31, 2014
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23 Dec, 2014 4 commits

renamed Polarization variable · e6532c38

git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1614 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 23, 2014

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Modified polarization options. Added OFF and MLWF_REF_Q · 86af121e
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1613 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Dec 23, 2014
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Compute polarization using ElectricEnthalpy whenever polarization is · 6d606120

not OFF. This can be used to compute the polarization in zero field.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1612 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 23, 2014

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implemented signature of permutation · 1191e431
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1611 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Dec 23, 2014
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19 Dec, 2014 2 commits
- Change variable name to polarization · 0eb6ee46
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1610 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 19, 2014
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- Changed norm() function to norm2() in D3vector.h for consistency. · 227ec73c
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1609 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 19, 2014
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19 Nov, 2014 8 commits
- rearranged loop of mlwf_ref Stengel correction. · 4adecbff
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1603 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- moved tests on e_field_[idir]. Compute gradient dwf only in directions for · a7aa499d
```
which e_field is non-zero.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1602 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- replaced polarization type string with enum · 6bf1aba6
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1601 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- Cleanup. Fixed uninitialized variable. · bbcb91e6
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1600 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- cleanup unneeded braces · 54dac671
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1599 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- Cleanup variable names, removed correction and replaced with correction_real. · 01ebdc61
```
Cleanup print format.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1598 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- cleanup unneeded accessors · bbf390fb
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1597 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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- reset default to BERRY · cc26145d
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1596 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 19, 2014
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18 Nov, 2014 4 commits
- Moved printing to print member function · c2fa7793
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1595 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 18, 2014
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- Fixed const member functions · 0671358a
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1594 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 18, 2014
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- Moved printing of electric enthalpy to ElectricEnthalpy class. · e6e109d8
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1593 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 18, 2014
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- cleanup, remove G-space correction (unused) · 768aa57e
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1592 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 18, 2014
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15 Nov, 2014 1 commit
- debug use of BERRY, MLWF, MLWF_REF in ElectricEnthalpy · 2d51f36b
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1591 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 15, 2014
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14 Nov, 2014 5 commits

fixed use of info in inverse_det · 47e4ed3e
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1590 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 14, 2014
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1.56.2-efield branch · 44f8b339


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1589 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 14, 2014

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cleanup inverse and inverse_det members · d3c82971
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1588 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 14, 2014
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ElectricEnthalpy class · e76f5de2


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1587 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 14, 2014

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modif for ElectricEnthalpy · 7d2b7219


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1586 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 14, 2014

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12 Nov, 2014 3 commits
- modif for use with ElectricEnthalpy · 260a4beb
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1585 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 12, 2014
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- efield branch release name · a6c432ac
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1584 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 12, 2014
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- add Efield and PolarizationType variables · 104f4102
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1583 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 12, 2014
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11 Nov, 2014 6 commits

remove print of mlwf center correction · 1fd939d4
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1582 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 11, 2014
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polarization_type variable · 30e2c3e8


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1581 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 11, 2014

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add print of electric enthalpy data · ac4bf5d8
```
git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1580 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 11, 2014
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added operator[] · 0ae1086b

git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1579 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 11, 2014

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D3tensor class · 35830cc4


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1578 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 11, 2014

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e_field variable · d2998bcf


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1577 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 11, 2014

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