Commit 77d48071 by Francois Gygi

rel1_67_2

parent 9459eedf
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rel1_67_2
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9459eed Merge branch 'develop'
1d85485 Use daxpy in XCPotential loops
136f424 Fix total energy and stress calc with NLCC
4e6d0f5 Fix non-linear core correction
c59340b Add rhocore_r and rhocore_g to ChargeDensity
d010476 Fix initialization of core correction in Species.C
593b1d1 update release string to 1.9
ddcb699 Restore 1.0 coefficient of non-local projectors to follow QE definitions
715e140 Add fast return in NonLocalPotential if no non-local species
72caf01 Add factor 0.5 in upf2qso.C for consistency of energy units
a52c966 Add <algorithm> header in upf2qso.C for g++ compilation
797585d Added ISO date stamp in upf2qso output
4f93df7 Fix upf2qso.C to work with UPF 2 pseudopotentials
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rel1_67_1
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00fb07e Add missing files ForceTol.h and StressTol.h
......@@ -139,7 +155,7 @@ d2a3c52 Removed $Id strings
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rel1_63_7
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r1920: Modified UserInterface.C to use C library, fsync()
r1920: Modified UserInterface.C to use C library, fsync()
to ensure synchronization.
r1912-1919: improvements in util/qbdriver files, twin.C
Added test programs in util/qbdriver
......@@ -165,7 +181,7 @@ r1829-r1832: qbox_angle.py and qbox_torsion.py scripts
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rel1_63_3
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r1825: TorsionCmd.h: revert to previous sign convention for compatibility
r1825: TorsionCmd.h: revert to previous sign convention for compatibility
with VMD and consistency with torsion constraint.
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r1823: Revert to use of wf (rather than dwf) in preconditioner update
......@@ -195,7 +211,7 @@ r1779-r1782 Implementation of Harris-Foulkes functional for calc of etotal_int
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rel1_62_7 r1776
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r1774: Fixed output of partial_charge command.
r1774: Fixed output of partial_charge command.
Increased max iter in ConstraintSet (note: two changes in r1774. accidental)
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r1771 rel1_62_6
......@@ -324,7 +340,7 @@ r1363: XMLGFPreprocessor.C: implemented sample loading using http connection.
rel1_57_13
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r1358: ExchangeOperator.C: Fixed exchange contributions to stress.
KPGridConnectivity.[Ch]: Added cell_moved() member to update cell-dependent
KPGridConnectivity.[Ch]: Added cell_moved() member to update cell-dependent
quantities during cell optimization.
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rel1_57_12
......
......@@ -19,5 +19,5 @@
#include "release.h"
std::string release(void)
{
return std::string("1.67.1");
return std::string("1.67.2");
}
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