diff options
Diffstat (limited to 'externals/grill/vasp/source')
-rw-r--r-- | externals/grill/vasp/source/main.cpp | 4 | ||||
-rw-r--r-- | externals/grill/vasp/source/obj_split.cpp | 2 | ||||
-rw-r--r-- | externals/grill/vasp/source/ops_cplx.cpp | 2 | ||||
-rw-r--r-- | externals/grill/vasp/source/ops_cplx.h | 4 | ||||
-rw-r--r-- | externals/grill/vasp/source/vasp.cpp | 2 | ||||
-rwxr-xr-x | externals/grill/vasp/source/vasp.rsrc | 13 |
6 files changed, 20 insertions, 7 deletions
diff --git a/externals/grill/vasp/source/main.cpp b/externals/grill/vasp/source/main.cpp index 6a1e01cf..2f7d9f11 100644 --- a/externals/grill/vasp/source/main.cpp +++ b/externals/grill/vasp/source/main.cpp @@ -12,7 +12,7 @@ WARRANTIES, see the file, "license.txt," in this distribution. #include "classes.h" -const C *VASP_VERSION = "0.1.3pre6"; +const C *VASP_VERSION = "0.1.3pre7"; #include "opfuns.h" @@ -162,7 +162,7 @@ static V vasp_main() VASP__SETUP(cnorm) // VASP__SETUP(cswap) - VASP__SETUP(cconj) +// VASP__SETUP(cconj) VASP_SETUP(shift) VASP_SETUP(xshift) diff --git a/externals/grill/vasp/source/obj_split.cpp b/externals/grill/vasp/source/obj_split.cpp index afeb3fd6..4535bfb1 100644 --- a/externals/grill/vasp/source/obj_split.cpp +++ b/externals/grill/vasp/source/obj_split.cpp @@ -201,7 +201,7 @@ public: I r = min(rem,outs); for(I i = 0; i < r; ++i) { Vasp v(ref.Frames(),ref.Vector(vi+i)); - ToOutVasp(r-1-i,v); + ToOutVasp(outs-1-i,v); } vi += r; rem -= r; diff --git a/externals/grill/vasp/source/ops_cplx.cpp b/externals/grill/vasp/source/ops_cplx.cpp index 013571ef..275f6f2d 100644 --- a/externals/grill/vasp/source/ops_cplx.cpp +++ b/externals/grill/vasp/source/ops_cplx.cpp @@ -52,5 +52,5 @@ VASP_UNARY("vasp.cnorm",cnorm,true,"normalize complex radius to 1 (but preserve // ----------------------------------------------------- -VASP_UNARY("vasp.cconj",cconj,true,"complex conjugate: multiply imaginary part with -1") // should be replaced by an abstraction +//VASP_UNARY("vasp.cconj",cconj,true,"complex conjugate: multiply imaginary part with -1") // should be replaced by an abstraction diff --git a/externals/grill/vasp/source/ops_cplx.h b/externals/grill/vasp/source/ops_cplx.h index 696aae55..9ca9d74e 100644 --- a/externals/grill/vasp/source/ops_cplx.h +++ b/externals/grill/vasp/source/ops_cplx.h @@ -22,7 +22,7 @@ DEFOP(S,d_radd,radd,cbin) DEFOP(S,d_cnorm,norm,cun) -DEFOP(S,d_cconj,conj,cun) +//DEFOP(S,d_cconj,conj,cun) namespace VaspOp { @@ -34,7 +34,7 @@ namespace VaspOp { inline Vasp *m_cnorm(OpParam &p,CVasp &src,CVasp *dst = NULL) { return m_cun(p,src,dst,VecOp::d_cnorm); } // complex normalize // inline Vasp *m_cswap(OpParam &p,CVasp &src,CVasp *dst = NULL) { return m_cun(p,src,dst,VecOp::d_cswap); } // swap real and imaginary parts - inline Vasp *m_cconj(OpParam &p,CVasp &src,CVasp *dst = NULL) { return m_cun(p,src,dst,VecOp::d_cconj); } // complex conjugate +// inline Vasp *m_cconj(OpParam &p,CVasp &src,CVasp *dst = NULL) { return m_cun(p,src,dst,VecOp::d_cconj); } // complex conjugate } #endif diff --git a/externals/grill/vasp/source/vasp.cpp b/externals/grill/vasp/source/vasp.cpp index 09ecb8ff..3fe91330 100644 --- a/externals/grill/vasp/source/vasp.cpp +++ b/externals/grill/vasp/source/vasp.cpp @@ -66,7 +66,7 @@ Vasp::~Vasp() Vasp &Vasp::Clear() { refs = frames = chns = 0; - if(ref) delete[] ref; + if(ref) { delete[] ref; ref = NULL; } return *this; } diff --git a/externals/grill/vasp/source/vasp.rsrc b/externals/grill/vasp/source/vasp.rsrc new file mode 100755 index 00000000..632ebe43 --- /dev/null +++ b/externals/grill/vasp/source/vasp.rsrc @@ -0,0 +1,13 @@ +(This file must be converted with BinHex 4.0) +:!!"bFh*M8P0&4!#3#!)RpQ8!N!3"!!!!!I!!!!$`!!!!0b"MEfjdB@PZC@3JE@9 +cFf&RC5"TEL"LD@jKFRNJ+Lm0$@KcE'PNCA+j,R*cFQ-#!!)!FR0bBe*6483"!2q +3"!)!FR0bBe*6483"!2q3"!#3%U((pmm!N!B%Z#TLAhC`D@il#3N[+L"`BA4MD'P +ZE'9d)'PZ)(4SDA-JF'&dBfKPFLGc)(CTFfpLDL!U,`d*#94&5'&ZC'aP)'*IG'9 +S1`Q3"#mU)(4PH(3JC@4TG'pb)'KKEQ4XC5!U,`d*I5"LAh9Z1`ep1`d0,bSJBQp +i)'CXB@Gc)#S[$3dMC!!!!1aJ#J!!E8&i6!a#!!"1qJ!`6R8LAb!I,S"R%L"!F!! +3%'!%%1J!!9()rrT#%%l4@8m[,`!)6VVrh#"I)!K1G8j@r[T)j`!`*Qi!#&P2,ca +Y3AK-2c`!!DJ1)&mN5#!+Cbi[#NKZr[T)E[lm5'lr!+QS5'lr!%kkrlK)E[m!3IS +!,NK3)'X!N!"1N!"2l`!-B!j"qJ!f5&!JD`#3!%k3!&K260m-!%jH6R@%E@&TEJ! +!3#9c1L"ZEh3JBACKD@aKBQaP)'C[FL!f1%X!G'KTFb"[BQTPBh3JDA-JEQpd)'& +fB@PXB@*XC5"QEh)J0MK,!*!%!3!!!!(`!!!!m!!!!$F4Y4E8!`B!!!!F!$)!!'e +"H%`!!!!+(d!!N!B4Y4A!"(CKFh!6F!: |