vasputils 0.0.0 → 0.0.1

data/vasputils.gemspec

@@ -5,12 +5,12 @@
 
 Gem::Specification.new do |s|
   s.name = "vasputils"
-  s.version = "0.0.0"
+  s.version = "0.0.1"
 
   s.required_rubygems_version = Gem::Requirement.new(">= 0") if s.respond_to? :required_rubygems_version=
   s.authors = ["ippei94da"]
-  s.date = "2012-04-04"
-  s.description = "This gem provides parsers for some VASP input and output files.\n    This will provide support command for computations."
+  s.date = "2012-04-23"
+  s.description = "This gem provides parsers for some of input and output files for VASP.\n    This will provide support command for computations."
   s.email = "ippei94da@gmail.com"
   s.executables = ["addVolumeToten.rb", "latticeconstants", "lsvaspdir", "lsvaspseries", "repeatvasp", "symposcar"]
   s.extra_rdoc_files = [
@@ -107,81 +107,6 @@ Gem::Specification.new do |s|
     "test/test_poscar.rb",
     "test/test_potcar.rb",
     "test/test_vaspdir.rb",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR",
-    "test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR",
-    "test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR",
-    "test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR",
-    "test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock",
-    "test/vaspdir/PI/INCAR",
-    "test/vaspdir/PI/KPOINTS",
-    "test/vaspdir/PI/PI12345",
-    "test/vaspdir/PI/POSCAR",
-    "test/vaspdir/PI/POTCAR",
     "test/vaspdir/lack-INCAR/KPOINTS",
     "test/vaspdir/lack-INCAR/POSCAR",
     "test/vaspdir/lack-INCAR/POTCAR",
@@ -194,43 +119,12 @@ Gem::Specification.new do |s|
     "test/vaspdir/lack-POTCAR/INCAR",
     "test/vaspdir/lack-POTCAR/KPOINTS",
     "test/vaspdir/lack-POTCAR/POSCAR",
-    "test/vaspdir/lock-PI/INCAR",
-    "test/vaspdir/lock-PI/KPOINTS",
-    "test/vaspdir/lock-PI/PI12345",
-    "test/vaspdir/lock-PI/POSCAR",
-    "test/vaspdir/lock-PI/POTCAR",
-    "test/vaspdir/lock-PI/lock",
-    "test/vaspdir/lock/INCAR",
-    "test/vaspdir/lock/KPOINTS",
-    "test/vaspdir/lock/POSCAR",
-    "test/vaspdir/lock/POTCAR",
-    "test/vaspdir/lock/lock",
-    "test/vaspdir/next-try00/CONTCAR",
-    "test/vaspdir/next-try00/INCAR",
-    "test/vaspdir/next-try00/KPOINTS",
-    "test/vaspdir/next-try00/OUTCAR",
-    "test/vaspdir/next-try00/POSCAR",
-    "test/vaspdir/next-try00/POTCAR",
-    "test/vaspdir/next-try00/lock",
-    "test/vaspdir/not-yet-ISIF2/INCAR",
-    "test/vaspdir/not-yet-ISIF2/KPOINTS",
-    "test/vaspdir/not-yet-ISIF2/PI17489",
-    "test/vaspdir/not-yet-ISIF2/PI17736",
-    "test/vaspdir/not-yet-ISIF2/PI1858",
-    "test/vaspdir/not-yet-ISIF2/PI1866",
-    "test/vaspdir/not-yet-ISIF2/PI2059",
-    "test/vaspdir/not-yet-ISIF2/POSCAR",
-    "test/vaspdir/not-yet-ISIF2/POTCAR",
-    "test/vaspdir/not-yet-ISIF3/INCAR",
-    "test/vaspdir/not-yet-ISIF3/KPOINTS",
-    "test/vaspdir/not-yet-ISIF3/POSCAR",
-    "test/vaspdir/not-yet-ISIF3/POTCAR",
     "vasputils.gemspec"
   ]
   s.homepage = "http://github.com/ippei94da/vasputils"
   s.licenses = ["MIT"]
   s.require_paths = ["lib"]
-  s.rubygems_version = "1.8.21"
+  s.rubygems_version = "1.8.11"
   s.summary = "Utilities for VASP, first-principles calculation code."
 
   if s.respond_to? :specification_version then
@@ -245,6 +139,7 @@ Gem::Specification.new do |s|
       s.add_development_dependency(%q<mageo>, [">= 0.0.0"])
       s.add_development_dependency(%q<malge>, [">= 0.0.1"])
       s.add_development_dependency(%q<maset>, [">= 0.0.0"])
+      s.add_development_dependency(%q<comana>, [">= 0.0.4"])
       s.add_development_dependency(%q<builtinextension>, [">= 0.0.3"])
     else
       s.add_dependency(%q<rdoc>, ["~> 3.12"])
@@ -255,6 +150,7 @@ Gem::Specification.new do |s|
       s.add_dependency(%q<mageo>, [">= 0.0.0"])
       s.add_dependency(%q<malge>, [">= 0.0.1"])
       s.add_dependency(%q<maset>, [">= 0.0.0"])
+      s.add_dependency(%q<comana>, [">= 0.0.4"])
       s.add_dependency(%q<builtinextension>, [">= 0.0.3"])
     end
   else
@@ -266,6 +162,7 @@ Gem::Specification.new do |s|
     s.add_dependency(%q<mageo>, [">= 0.0.0"])
     s.add_dependency(%q<malge>, [">= 0.0.1"])
     s.add_dependency(%q<maset>, [">= 0.0.0"])
+    s.add_dependency(%q<comana>, [">= 0.0.4"])
     s.add_dependency(%q<builtinextension>, [">= 0.0.3"])
   end
 end

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: vasputils
 version: !ruby/object:Gem::Version
-  version: 0.0.0
+  version: 0.0.1
   prerelease: 
 platform: ruby
 authors:
@@ -9,11 +9,11 @@ authors:
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2012-04-04 00:00:00.000000000 Z
+date: 2012-04-23 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: rdoc
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78434910 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ~>
@@ -21,15 +21,10 @@ dependencies:
         version: '3.12'
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ~>
-      - !ruby/object:Gem::Version
-        version: '3.12'
+  version_requirements: *78434910
 - !ruby/object:Gem::Dependency
   name: bundler
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78434520 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ~>
@@ -37,15 +32,10 @@ dependencies:
         version: 1.1.3
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ~>
-      - !ruby/object:Gem::Version
-        version: 1.1.3
+  version_requirements: *78434520
 - !ruby/object:Gem::Dependency
   name: jeweler
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78433940 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ~>
@@ -53,15 +43,10 @@ dependencies:
         version: 1.8.3
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ~>
-      - !ruby/object:Gem::Version
-        version: 1.8.3
+  version_requirements: *78433940
 - !ruby/object:Gem::Dependency
   name: simplecov
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78433510 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -69,15 +54,10 @@ dependencies:
         version: '0'
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ! '>='
-      - !ruby/object:Gem::Version
-        version: '0'
+  version_requirements: *78433510
 - !ruby/object:Gem::Dependency
   name: crystalcell
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78433020 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -85,15 +65,10 @@ dependencies:
         version: 0.0.0
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ! '>='
-      - !ruby/object:Gem::Version
-        version: 0.0.0
+  version_requirements: *78433020
 - !ruby/object:Gem::Dependency
   name: mageo
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78432510 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -101,15 +76,10 @@ dependencies:
         version: 0.0.0
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ! '>='
-      - !ruby/object:Gem::Version
-        version: 0.0.0
+  version_requirements: *78432510
 - !ruby/object:Gem::Dependency
   name: malge
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78431890 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -117,15 +87,10 @@ dependencies:
         version: 0.0.1
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ! '>='
-      - !ruby/object:Gem::Version
-        version: 0.0.1
+  version_requirements: *78431890
 - !ruby/object:Gem::Dependency
   name: maset
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78431210 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -133,15 +98,21 @@ dependencies:
         version: 0.0.0
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
+  version_requirements: *78431210
+- !ruby/object:Gem::Dependency
+  name: comana
+  requirement: &78456380 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
       - !ruby/object:Gem::Version
-        version: 0.0.0
+        version: 0.0.4
+  type: :development
+  prerelease: false
+  version_requirements: *78456380
 - !ruby/object:Gem::Dependency
   name: builtinextension
-  requirement: !ruby/object:Gem::Requirement
+  requirement: &78456020 !ruby/object:Gem::Requirement
     none: false
     requirements:
     - - ! '>='
@@ -149,13 +120,8 @@ dependencies:
         version: 0.0.3
   type: :development
   prerelease: false
-  version_requirements: !ruby/object:Gem::Requirement
-    none: false
-    requirements:
-    - - ! '>='
-      - !ruby/object:Gem::Version
-        version: 0.0.3
-description: ! "This gem provides parsers for some VASP input and output files.\n
+  version_requirements: *78456020
+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:
@@ -259,81 +225,6 @@ files:
 - test/test_poscar.rb
 - test/test_potcar.rb
 - test/test_vaspdir.rb
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POSCAR
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/POTCAR
-- test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/INCAR
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POSCAR
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/POTCAR
-- test/vaspdir/ISIF2-NSW000-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/INCAR
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POSCAR
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/POTCAR
-- test/vaspdir/ISIF2-NSW001-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/INCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POSCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/POTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/CONTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/INCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/KPOINTS
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/OUTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POSCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/POTCAR
-- test/vaspdir/ISIF2-NSW100-OUTCAR-Iter3/lock
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/INCAR
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POSCAR
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/POTCAR
-- test/vaspdir/ISIF3-NSW000-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/CONTCAR
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/INCAR
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/KPOINTS
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/OUTCAR
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POSCAR
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/POTCAR
-- test/vaspdir/ISIF3-NSW001-OUTCAR-Iter1/lock
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/CONTCAR
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/INCAR
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/KPOINTS
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/OUTCAR
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POSCAR
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/POTCAR
-- test/vaspdir/ISIF3-NSW002-OUTCAR-Iter2/lock
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/CONTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/INCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/KPOINTS
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/OUTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POSCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/POTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter1-INT/lock
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/CONTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/INCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/KPOINTS
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/OUTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POSCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/POTCAR
-- test/vaspdir/ISIF3-NSW100-OUTCAR-Iter3/lock
-- test/vaspdir/PI/INCAR
-- test/vaspdir/PI/KPOINTS
-- test/vaspdir/PI/PI12345
-- test/vaspdir/PI/POSCAR
-- test/vaspdir/PI/POTCAR
 - test/vaspdir/lack-INCAR/KPOINTS
 - test/vaspdir/lack-INCAR/POSCAR
 - test/vaspdir/lack-INCAR/POTCAR
@@ -346,37 +237,6 @@ files:
 - test/vaspdir/lack-POTCAR/INCAR
 - test/vaspdir/lack-POTCAR/KPOINTS
 - test/vaspdir/lack-POTCAR/POSCAR
-- test/vaspdir/lock-PI/INCAR
-- test/vaspdir/lock-PI/KPOINTS
-- test/vaspdir/lock-PI/PI12345
-- test/vaspdir/lock-PI/POSCAR
-- test/vaspdir/lock-PI/POTCAR
-- test/vaspdir/lock-PI/lock
-- test/vaspdir/lock/INCAR
-- test/vaspdir/lock/KPOINTS
-- test/vaspdir/lock/POSCAR
-- test/vaspdir/lock/POTCAR
-- test/vaspdir/lock/lock
-- test/vaspdir/next-try00/CONTCAR
-- test/vaspdir/next-try00/INCAR
-- test/vaspdir/next-try00/KPOINTS
-- test/vaspdir/next-try00/OUTCAR
-- test/vaspdir/next-try00/POSCAR
-- test/vaspdir/next-try00/POTCAR
-- test/vaspdir/next-try00/lock
-- test/vaspdir/not-yet-ISIF2/INCAR
-- test/vaspdir/not-yet-ISIF2/KPOINTS
-- test/vaspdir/not-yet-ISIF2/PI17489
-- test/vaspdir/not-yet-ISIF2/PI17736
-- test/vaspdir/not-yet-ISIF2/PI1858
-- test/vaspdir/not-yet-ISIF2/PI1866
-- test/vaspdir/not-yet-ISIF2/PI2059
-- test/vaspdir/not-yet-ISIF2/POSCAR
-- test/vaspdir/not-yet-ISIF2/POTCAR
-- test/vaspdir/not-yet-ISIF3/INCAR
-- test/vaspdir/not-yet-ISIF3/KPOINTS
-- test/vaspdir/not-yet-ISIF3/POSCAR
-- test/vaspdir/not-yet-ISIF3/POTCAR
 - vasputils.gemspec
 homepage: http://github.com/ippei94da/vasputils
 licenses:
@@ -393,7 +253,7 @@ required_ruby_version: !ruby/object:Gem::Requirement
       version: '0'
       segments:
       - 0
-      hash: -646396931
+      hash: -47999919
 required_rubygems_version: !ruby/object:Gem::Requirement
   none: false
   requirements:
@@ -402,7 +262,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement
       version: '0'
 requirements: []
 rubyforge_project: 
-rubygems_version: 1.8.21
+rubygems_version: 1.8.11
 signing_key: 
 specification_version: 3
 summary: Utilities for VASP, first-principles calculation code.

data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/CONTCAR

@@ -1,17 +0,0 @@
-Untitled (VASP)                         
-   1.00000000000000     
-     3.6509999999999998    0.0000000000000000    0.0000000000000000
-    -1.8254999999999919    3.1618587492169889    0.0000000000000000
-     0.0000000000000000    0.0000000000000000    3.8879999999999999
-   3   1
-Selective dynamics
-Direct
-  0.0000000000000000  0.0000000000000000  0.5000000000000000   T   T   T
-  0.3333333333333357  0.6666666666666642  0.0000000000000000   T   T   T
-  0.6666666666666642  0.3333333333333357  0.0000000000000000   T   T   T
-  0.0000000000000000  0.0000000000000000  0.0000000000000000   F   F   F
- 
-  0.00000000E+00  0.00000000E+00  0.00000000E+00
-  0.00000000E+00  0.00000000E+00  0.00000000E+00
-  0.00000000E+00  0.00000000E+00  0.00000000E+00
-  0.00000000E+00  0.00000000E+00  0.00000000E+00

data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/INCAR

@@ -1,27 +0,0 @@
-# SCF input for VASP
-
-SYSTEM = Untitled (VASP)
-    PREC = High
-  IBRION = -1     #-1:atoms not moved, 1:quasi-Newton, 2:conjugate-gradient
-     NSW = 0      #maximum number of ionic steps
-   ENCUT = 400
-    NELM = 60       #maximum number of electronic steps
-  NELMIN = 2        #minimum number of electronic steps
-   EDIFF = 1.0e-05
-  EDIFFG = -0.02
- VOSKOWN = 1
-  NBLOCK = 1
-   ISPIN = 1        #1:non spin polarized, 2:spin polarized
-  INIWAV = 1
-  ISTART = 1
-  ICHARG = 1
-   LWAVE = .TRUE.
-  LCHARG = .TRUE.
-  ISMEAR = 0
-   SIGMA = 0.1
-   IALGO = 38       #38:KosugiAlgorithm, 48:RMM-DIIS
-   #LREAL = .FALSE.
-   LREAL = Auto     #fast & not accurate
-     NGX = 36
-     NGY = 36
-     NGZ = 42

data/test/vaspdir/IBRION-1-NSW000-OUTCAR-Iter1/KPOINTS

@@ -1,6 +0,0 @@
-Automatic mesh
-0
-Monkhorst Pack
-  5  5  5
-  0.  0.  0.
-