RubyGems - vasputils - Versions diffs - 0.0.11 → 0.0.12 - Mend

vasputils 0.0.11 → 0.0.12

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (406) hide show

metadata CHANGED Viewed

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: vasputils
 version: !ruby/object:Gem::Version
-  version: 0.0.11
+  version: 0.0.12
   prerelease:
 platform: ruby
 authors:
@@ -9,88 +9,107 @@ authors:
 autorequire:
 bindir: bin
 cert_chain: []
-date: 2012-12-02 00:00:00.000000000 Z
+date: 2014-08-30 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: rdoc
-  requirement: &87024950 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
-    - - ! '>='
+    - - ~>
       - !ruby/object:Gem::Version
-        version: '3.12'
+        version: 4.1.1
   type: :development
   prerelease: false
-  version_requirements: *87024950
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ~>
+      - !ruby/object:Gem::Version
+        version: 4.1.1
 - !ruby/object:Gem::Dependency
   name: bundler
-  requirement: &87024710 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
-    - - ! '>='
+    - - ~>
       - !ruby/object:Gem::Version
-        version: 1.1.3
+        version: 1.7.2
   type: :development
   prerelease: false
-  version_requirements: *87024710
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ~>
+      - !ruby/object:Gem::Version
+        version: 1.7.2
 - !ruby/object:Gem::Dependency
   name: jeweler
-  requirement: &87024450 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
-    - - ! '>='
+    - - ~>
       - !ruby/object:Gem::Version
-        version: 1.8.3
+        version: 2.0.1
   type: :development
   prerelease: false
-  version_requirements: *87024450
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ~>
+      - !ruby/object:Gem::Version
+        version: 2.0.1
 - !ruby/object:Gem::Dependency
   name: simplecov
-  requirement: &87024200 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: '0'
+        version: 0.9.0
   type: :development
   prerelease: false
-  version_requirements: *87024200
-- !ruby/object:Gem::Dependency
-  name: crystalcell
-  requirement: &87023740 !ruby/object:Gem::Requirement
+  version_requirements: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.0
-  type: :development
-  prerelease: false
-  version_requirements: *87023740
+        version: 0.9.0
 - !ruby/object:Gem::Dependency
   name: mageo
-  requirement: &87023380 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.0
+        version: 0.0.3
   type: :development
   prerelease: false
-  version_requirements: *87023380
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.3
 - !ruby/object:Gem::Dependency
   name: malge
-  requirement: &87023030 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.1
+        version: 0.0.8
   type: :development
   prerelease: false
-  version_requirements: *87023030
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.8
 - !ruby/object:Gem::Dependency
   name: maset
-  requirement: &87022760 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -98,43 +117,80 @@ dependencies:
         version: 0.0.0
   type: :development
   prerelease: false
-  version_requirements: *87022760
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.0
 - !ruby/object:Gem::Dependency
   name: comana
-  requirement: &87022420 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.9
+        version: 0.0.10
   type: :development
   prerelease: false
-  version_requirements: *87022420
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.10
 - !ruby/object:Gem::Dependency
   name: builtinextension
-  requirement: &87022180 !ruby/object:Gem::Requirement
+  requirement: !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.3
+        version: 0.1.2
   type: :development
   prerelease: false
-  version_requirements: *87022180
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.1.2
+- !ruby/object:Gem::Dependency
+  name: crystalcell
+  requirement: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.2
+  type: :development
+  prerelease: false
+  version_requirements: !ruby/object:Gem::Requirement
+    none: false
+    requirements:
+    - - ! '>='
+      - !ruby/object:Gem::Version
+        version: 0.0.2
 description: ! "This gem provides parsers for some of input and output files for VASP.\n
   \   This will provide support command for computations."
 email: ippei94da@gmail.com
 executables:
+- changeincar
 - checkvasp
 - genincar
 - genkpoints
 - genpotcar
-- genvaspdir
 - latticeconstants
 - qsubvasp
-- rmvaspout
+- resetvaspdir
+- resetvaspgeomopt
 - runvasp
+- runvaspdir
+- runvaspgeomopt
+- showvaspdir
+- showvaspgeomopt
 - symposcar
+- varycondition
 extensions: []
 extra_rdoc_files:
 - LICENSE.txt
@@ -147,18 +203,25 @@ files:
 - README.rdoc
 - Rakefile
 - VERSION
+- bin/changeincar
 - bin/checkvasp
 - bin/genincar
 - bin/genkpoints
 - bin/genpotcar
-- bin/genvaspdir
 - bin/latticeconstants
 - bin/qsubvasp
-- bin/rmvaspout
+- bin/resetvaspdir
+- bin/resetvaspgeomopt
 - bin/runvasp
+- bin/runvaspdir
+- bin/runvaspgeomopt
+- bin/showvaspdir
+- bin/showvaspgeomopt
 - bin/symposcar
+- bin/varycondition
 - example/dot.vasputils
 - lib/vasputils.rb
+- lib/vasputils/conditionvarier.rb
 - lib/vasputils/incar.rb
 - lib/vasputils/kpoints.rb
 - lib/vasputils/outcar.rb
@@ -168,7 +231,6 @@ files:
 - lib/vasputils/setting.rb
 - lib/vasputils/vaspdir.rb
 - lib/vasputils/vaspgeometryoptimizer.rb
-- lib/vasputils/vaspkpointsfinder.rb
 - test/calcseries/dup_finished/try00/CONTCAR
 - test/calcseries/dup_finished/try00/INCAR
 - test/calcseries/dup_finished/try00/KPOINTS
@@ -204,6 +266,168 @@ files:
 - test/calcseries/not_finished/try00/POSCAR
 - test/calcseries/not_finished/try00/POTCAR
 - test/calcseries/not_finished/try00/lock
+- test/conditionanalyzer/00/POSCAR
+- test/conditionanalyzer/00/encut400_k444/CONTCAR
+- test/conditionanalyzer/00/encut400_k444/INCAR
+- test/conditionanalyzer/00/encut400_k444/KPOINTS
+- test/conditionanalyzer/00/encut400_k444/OUTCAR
+- test/conditionanalyzer/00/encut400_k444/POSCAR
+- test/conditionanalyzer/00/encut400_k444/POTCAR
+- test/conditionanalyzer/00/encut400_k555/CONTCAR
+- test/conditionanalyzer/00/encut400_k555/INCAR
+- test/conditionanalyzer/00/encut400_k555/KPOINTS
+- test/conditionanalyzer/00/encut400_k555/OUTCAR
+- test/conditionanalyzer/00/encut400_k555/POSCAR
+- test/conditionanalyzer/00/encut400_k555/POTCAR
+- test/conditionanalyzer/00/encut500_k444/CONTCAR
+- test/conditionanalyzer/00/encut500_k444/INCAR
+- test/conditionanalyzer/00/encut500_k444/KPOINTS
+- test/conditionanalyzer/00/encut500_k444/OUTCAR
+- test/conditionanalyzer/00/encut500_k444/POSCAR
+- test/conditionanalyzer/00/encut500_k444/POTCAR
+- test/conditionanalyzer/00/encut500_k555/CONTCAR
+- test/conditionanalyzer/00/encut500_k555/INCAR
+- test/conditionanalyzer/00/encut500_k555/KPOINTS
+- test/conditionanalyzer/00/encut500_k555/OUTCAR
+- test/conditionanalyzer/00/encut500_k555/POSCAR
+- test/conditionanalyzer/00/encut500_k555/POTCAR
+- test/conditionanalyzer/01/00-original/INCAR
+- test/conditionanalyzer/01/00-original/KPOINTS
+- test/conditionanalyzer/01/00-original/POSCAR
+- test/conditionanalyzer/01/00-original/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/INCAR
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/1000/try02/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/INCAR
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/1200/try02/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/INCAR
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/1500/try02/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/500/try05/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/500/try05/INCAR
+- test/conditionanalyzer/01/01-ENCUT/500/try05/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/500/try05/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/500/try05/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/500/try05/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/600/try01/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/600/try01/INCAR
+- test/conditionanalyzer/01/01-ENCUT/600/try01/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/600/try01/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/600/try01/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/600/try01/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/700/try01/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/700/try01/INCAR
+- test/conditionanalyzer/01/01-ENCUT/700/try01/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/700/try01/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/700/try01/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/700/try01/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/800/try01/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/800/try01/INCAR
+- test/conditionanalyzer/01/01-ENCUT/800/try01/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/800/try01/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/800/try01/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/800/try01/POTCAR
+- test/conditionanalyzer/01/01-ENCUT/900/try01/CONTCAR
+- test/conditionanalyzer/01/01-ENCUT/900/try01/INCAR
+- test/conditionanalyzer/01/01-ENCUT/900/try01/KPOINTS
+- test/conditionanalyzer/01/01-ENCUT/900/try01/OUTCAR
+- test/conditionanalyzer/01/01-ENCUT/900/try01/POSCAR
+- test/conditionanalyzer/01/01-ENCUT/900/try01/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/16x16x16/try07/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/1x1x1/try07/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/2x2x2/try10/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x32/try06/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/32x32x64/try04/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/64x64x64/POTCAR
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/CONTCAR
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/INCAR
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/KPOINTS
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/OUTCAR
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/POSCAR
+- test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/POTCAR
+- test/conditionanalyzer/mixed_conditions/orthorhombic/CONTCAR
+- test/conditionanalyzer/mixed_conditions/orthorhombic/INCAR
+- test/conditionanalyzer/mixed_conditions/orthorhombic/KPOINTS
+- test/conditionanalyzer/mixed_conditions/orthorhombic/OUTCAR
+- test/conditionanalyzer/mixed_conditions/orthorhombic/POSCAR
+- test/conditionanalyzer/mixed_conditions/orthorhombic/POTCAR
+- test/conditionanalyzer/mixed_conditions/tetragonal/CONTCAR
+- test/conditionanalyzer/mixed_conditions/tetragonal/INCAR
+- test/conditionanalyzer/mixed_conditions/tetragonal/KPOINTS
+- test/conditionanalyzer/mixed_conditions/tetragonal/OUTCAR
+- test/conditionanalyzer/mixed_conditions/tetragonal/POSCAR
+- test/conditionanalyzer/mixed_conditions/tetragonal/POTCAR
+- test/conditionanalyzer/picker/encut400_k444-cubic/INCAR
+- test/conditionanalyzer/picker/encut400_k444-cubic/KPOINTS
+- test/conditionanalyzer/picker/encut400_k444-cubic/OUTCAR
+- test/conditionanalyzer/picker/encut400_k444-cubic/POSCAR
+- test/conditionanalyzer/picker/encut400_k444-cubic/POTCAR
+- test/conditionanalyzer/picker/encut400_k444-tetragonal-b/INCAR
+- test/conditionanalyzer/picker/encut400_k444-tetragonal-b/KPOINTS
+- test/conditionanalyzer/picker/encut400_k444-tetragonal-b/OUTCAR
+- test/conditionanalyzer/picker/encut400_k444-tetragonal-b/POSCAR
+- test/conditionanalyzer/picker/encut400_k444-tetragonal-b/POTCAR
+- test/conditionanalyzer/picker/encut400_k444-unfinished/INCAR
+- test/conditionanalyzer/picker/encut400_k444-unfinished/KPOINTS
+- test/conditionanalyzer/picker/encut400_k444-unfinished/OUTCAR
+- test/conditionanalyzer/picker/encut400_k444-unfinished/POSCAR
+- test/conditionanalyzer/picker/encut400_k444-unfinished/POTCAR
+- test/conditionanalyzer/picker/hexiagonal/CONTCAR
+- test/conditionanalyzer/picker/hexiagonal/INCAR
+- test/conditionanalyzer/picker/hexiagonal/KPOINTS
+- test/conditionanalyzer/picker/hexiagonal/OUTCAR
+- test/conditionanalyzer/picker/hexiagonal/POSCAR
+- test/conditionanalyzer/picker/hexiagonal/POTCAR
+- test/conditionvarier/standard/INCAR
+- test/conditionvarier/standard/KPOINTS
+- test/conditionvarier/standard/POSCAR
+- test/conditionvarier/standard/POTCAR
 - test/helper.rb
 - test/incar/INCAR.00
 - test/incar/INCAR.01
@@ -218,6 +442,14 @@ files:
 - test/poscar/NOT_POSCAR
 - test/poscar/POSCAR.01
 - test/poscar/POSCAR.4-0
+- test/poscar/symmetry/cubic/POSCAR
+- test/poscar/symmetry/hexagonal/POSCAR
+- test/poscar/symmetry/monoclinic/POSCAR
+- test/poscar/symmetry/orthorhombic/POSCAR
+- test/poscar/symmetry/tetragonal-b/POSCAR
+- test/poscar/symmetry/tetragonal/POSCAR
+- test/poscar/symmetry/triclinic/POSCAR
+- test/poscar/symmetry/trigonal/POSCAR
 - test/poscar/trash/POSCAR.5-0
 - test/poscarparser/POSCAR.00
 - test/poscarparser/POSCAR.01
@@ -537,6 +769,7 @@ files:
 - test/repeatVasp/Iter2-Nsw2.00/POSCAR
 - test/repeatVasp/Iter2-Nsw2.00/POTCAR
 - test/repeatVasp/test.sh
+- test/test_conditionvarier.rb
 - test/test_incar.rb
 - test/test_kpoints.rb
 - test/test_outcar.rb
@@ -546,7 +779,6 @@ files:
 - test/test_setting.rb
 - test/test_vaspdir.rb
 - test/test_vaspgeometryoptimizer.rb
-- test/test_vaspkpointsfinder.rb
 - test/test_vasputils.rb
 - test/vaspdir/finished/CONTCAR
 - test/vaspdir/finished/INCAR
@@ -574,72 +806,198 @@ files:
 - test/vaspdir/not-yet/KPOINTS
 - test/vaspdir/not-yet/POSCAR
 - test/vaspdir/not-yet/POTCAR
+- test/vaspdir/reset_init/finished/orig/CONTCAR
+- test/vaspdir/reset_init/finished/orig/INCAR
+- test/vaspdir/reset_init/finished/orig/KPOINTS
+- test/vaspdir/reset_init/finished/orig/OUTCAR
+- test/vaspdir/reset_init/finished/orig/POSCAR
+- test/vaspdir/reset_init/finished/orig/POTCAR
 - test/vaspdir/started/CONTCAR
 - test/vaspdir/started/INCAR
 - test/vaspdir/started/KPOINTS
 - test/vaspdir/started/OUTCAR
 - test/vaspdir/started/POSCAR
 - test/vaspdir/started/POTCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try00/CONTCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try00/INCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try00/KPOINTS
-- test/vaspgeometryoptimizer/ended-Iter1/try00/OUTCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try00/POSCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try00/POTCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try01/INCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try01/KPOINTS
-- test/vaspgeometryoptimizer/ended-Iter1/try01/OUTCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try01/POSCAR
-- test/vaspgeometryoptimizer/ended-Iter1/try01/POTCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try00/CONTCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try00/INCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try00/KPOINTS
-- test/vaspgeometryoptimizer/ended-Iter2/try00/OUTCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try00/POSCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try00/POTCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try01/INCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try01/KPOINTS
-- test/vaspgeometryoptimizer/ended-Iter2/try01/OUTCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try01/POSCAR
-- test/vaspgeometryoptimizer/ended-Iter2/try01/POTCAR
-- test/vaspgeometryoptimizer/not-yet/try00/INCAR
-- test/vaspgeometryoptimizer/not-yet/try00/KPOINTS
-- test/vaspgeometryoptimizer/not-yet/try00/POSCAR
-- test/vaspgeometryoptimizer/not-yet/try00/POTCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/CHG
-- test/vaspgeometryoptimizer/prepare_next/try00/CHGCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/CONTCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/DOSCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/EIGENVAL
-- test/vaspgeometryoptimizer/prepare_next/try00/INCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/KPOINTS
-- test/vaspgeometryoptimizer/prepare_next/try00/OSZICAR
-- test/vaspgeometryoptimizer/prepare_next/try00/OUTCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/PCDAT
-- test/vaspgeometryoptimizer/prepare_next/try00/POSCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/POTCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/WAVECAR
-- test/vaspgeometryoptimizer/prepare_next/try00/XDATCAR
-- test/vaspgeometryoptimizer/prepare_next/try00/vasprun.xml
-- test/vaspgeometryoptimizer/started/try00/INCAR
-- test/vaspgeometryoptimizer/started/try00/KPOINTS
-- test/vaspgeometryoptimizer/started/try00/POSCAR
-- test/vaspgeometryoptimizer/started/try00/POTCAR
-- test/vaspgeometryoptimizer/till01/try00/CONTCAR
-- test/vaspgeometryoptimizer/till01/try00/INCAR
-- test/vaspgeometryoptimizer/till01/try00/KPOINTS
-- test/vaspgeometryoptimizer/till01/try00/OUTCAR
-- test/vaspgeometryoptimizer/till01/try00/POSCAR
-- test/vaspgeometryoptimizer/till01/try00/POTCAR
-- test/vaspgeometryoptimizer/till01/try01/INCAR
-- test/vaspgeometryoptimizer/till01/try01/KPOINTS
-- test/vaspgeometryoptimizer/till01/try01/POSCAR
-- test/vaspgeometryoptimizer/till01/try01/POTCAR
-- test/vaspkpointsfinder/01-01-01/try00/INCAR
-- test/vaspkpointsfinder/01-01-01/try00/KPOINTS
-- test/vaspkpointsfinder/01-01-01/try00/POSCAR
-- test/vaspkpointsfinder/01-01-01/try00/POTCAR
-- vasputils.gemspec
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/INCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt01/INCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/ended-Iter1/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/INCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt01/INCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/ended-Iter2/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/CONTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/INCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/KPOINTS
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/OUTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/POSCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir0/POTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/CONTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/INCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/KPOINTS
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/OUTCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/POSCAR
+- test/vaspgeometryoptimizer/multiple_vaspdir/vaspdir1/POTCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcA/INCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcA/KPOINTS
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcA/POSCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcA/POTCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcB/INCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcB/KPOINTS
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcB/POSCAR
+- test/vaspgeometryoptimizer/not-geomopt/not-geomopt-subdir/calcB/POTCAR
+- test/vaspgeometryoptimizer/not-yet/geomopt00/INCAR
+- test/vaspgeometryoptimizer/not-yet/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/not-yet/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/not-yet/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/CHG
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/CHGCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/DOSCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/EIGENVAL
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/INCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/OSZICAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/PCDAT
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/WAVECAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/XDATCAR
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt00/vasprun.xml
+- test/vaspgeometryoptimizer/prepare_next/no-contcar/geomopt01/.gitignore
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/CHG
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/CHGCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/DOSCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/EIGENVAL
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/INCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/OSZICAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/PCDAT
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/WAVECAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/XDATCAR
+- test/vaspgeometryoptimizer/prepare_next/normal/geomopt00/vasprun.xml
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/INCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/CONTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/INCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt02/CONTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt02/INCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt02/KPOINTS
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt02/POSCAR
+- test/vaspgeometryoptimizer/reset_init/orig/geomopt02/POTCAR
+- test/vaspgeometryoptimizer/reset_init/orig/lock_vaspgeomopt/dummy
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/INCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/INCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/INCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/POSCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/geomopt02/POTCAR
+- test/vaspgeometryoptimizer/reset_next/empty-contcar/orig/lock_vaspgeomopt/dummy
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/INCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/INCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt02/INCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt02/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt02/POSCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/geomopt02/POTCAR
+- test/vaspgeometryoptimizer/reset_next/no-contcar/orig/lock_vaspgeomopt/dummy
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/INCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/INCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt02/CONTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt02/INCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt02/KPOINTS
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt02/POSCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/geomopt02/POTCAR
+- test/vaspgeometryoptimizer/reset_next/poscar-contcar/orig/lock_vaspgeomopt/dummy
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/INCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/CONTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/INCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/OUTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/POTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/CONTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/INCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/KPOINTS
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/POSCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/POTCAR
+- test/vaspgeometryoptimizer/reset_reincarnation/orig/lock_vaspgeomopt/dummy
+- test/vaspgeometryoptimizer/started/geomopt00/INCAR
+- test/vaspgeometryoptimizer/started/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/started/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/started/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/till01/geomopt00/CONTCAR
+- test/vaspgeometryoptimizer/till01/geomopt00/INCAR
+- test/vaspgeometryoptimizer/till01/geomopt00/KPOINTS
+- test/vaspgeometryoptimizer/till01/geomopt00/OUTCAR
+- test/vaspgeometryoptimizer/till01/geomopt00/POSCAR
+- test/vaspgeometryoptimizer/till01/geomopt00/POTCAR
+- test/vaspgeometryoptimizer/till01/geomopt01/INCAR
+- test/vaspgeometryoptimizer/till01/geomopt01/KPOINTS
+- test/vaspgeometryoptimizer/till01/geomopt01/POSCAR
+- test/vaspgeometryoptimizer/till01/geomopt01/POTCAR
 homepage: http://github.com/ippei94da/vasputils
 licenses:
 - MIT
@@ -655,7 +1013,7 @@ required_ruby_version: !ruby/object:Gem::Requirement
       version: '0'
       segments:
       - 0
-      hash: 674540015
+      hash: -154497592225967354
 required_rubygems_version: !ruby/object:Gem::Requirement
   none: false
   requirements:
@@ -664,7 +1022,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement
       version: '0'
 requirements: []
 rubyforge_project:
-rubygems_version: 1.8.11
+rubygems_version: 1.8.23
 signing_key:
 specification_version: 3
 summary: Utilities for VASP, first-principles calculation code.